UCSF

ZINC45335311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 27 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) 5.16 9.4 -10.2 3 4 0 53 379.891 7
Mid Mid (pH 6-8) 5.16 10.76 -53.49 4 4 1 58 380.899 7

Activity (Go SEA)

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