UCSF

ZINC58650237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 27 No

Popular Name: 3,4-dimethyl-5-[2-[(Z)-(4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)amino]pyrimidin-4-yl]thiazol-2- 3,4-dimethyl-5-[2-[(Z)-(4-pipera…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 9.26 -50.16 3 7 1 80 383.501 4 ↓
Hi High (pH 8-9.5) 1.41 5.94 -12.37 1 7 0 75 382.493 3 ↓
Hi High (pH 8-9.5) 2.19 7.97 -10.28 2 7 0 75 382.493 4 ↓
Hi High (pH 8-9.5) 1.41 8.26 -11.68 1 7 0 75 382.493 3 ↓
Lo Low (pH 4.5-6) -3.02 7.37 -126.83 2 7 2 80 384.509 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.