UCSF

ZINC41681093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.27 6.19 -44.28 4 4 1 55 267.422 7
Mid Mid (pH 6-8) 1.27 6.53 -89.96 5 4 2 57 268.43 7

Activity (Go SEA)

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