UCSF

ZINC37010523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 No

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) 2.29 10.55 -120.2 3 5 2 67 293.411 8
Hi High (pH 8-9.5) 2.29 9.32 -40.3 2 5 1 62 292.403 8
Mid Mid (pH 6-8) 2.29 8.1 -51.32 2 5 1 66 292.403 8

Activity (Go SEA)

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