UCSF

ZINC36126350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 No

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Annotations

None

Vendors

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) 1.56 3.87 -80.94 1 7 0 80 382.53 6
Hi High (pH 8-9.5) 1.56 0.85 -16.01 1 7 0 76 382.53 6
Hi High (pH 8-9.5) 1.56 1.4 -56.61 0 7 -1 79 381.522 6
Lo Low (pH 4.5-6) 1.56 5.87 -126.3 2 7 1 82 383.538 6

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