UCSF

ZINC37103268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.80 7.92 -33.29 2 4 1 43 271.425 6
Mid Mid (pH 6-8) 2.80 8.29 -96.3 3 4 2 47 272.433 6

Activity (Go SEA)

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