UCSF

ZINC70304150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.35 6.1 -116.4 4 4 2 50 271.792 6
Hi High (pH 8-9.5) 2.17 3.9 -29.79 2 4 0 52 269.776 6
Hi High (pH 8-9.5) 2.35 4.66 -38.73 3 4 1 46 270.784 6
Mid Mid (pH 6-8) 2.35 3.84 -43.18 3 4 1 49 270.784 6

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Rings

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