UCSF

ZINC24562032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 26 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) 2.33 9.11 -53.54 2 8 1 89 384.478 7
Mid Mid (pH 6-8) 2.33 6.73 -10.94 1 8 0 88 383.47 7

Activity (Go SEA)

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