UCSF

ZINC36130622

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: 3-[[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]amino]-4-pyrrolidin-1-yl-cyclobut-3- 3-[[3-[4-(5-chloro-2-methyl-phen…

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Annotations

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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) -1.18 8.12 -37.43 2 7 1 76 431.944 5 ↓
Hi High (pH 8-9.5) -0.55 6.17 -21.48 1 7 0 82 430.936 4 ↓
Mid Mid (pH 6-8) -0.55 6.45 -106.34 3 7 2 81 432.952 4 ↓

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

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