UCSF

ZINC53499307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 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) 0.27 3.91 -89.57 3 5 2 49 264.41 14
Mid Mid (pH 6-8) 0.27 1.68 -38.18 2 5 1 48 263.402 14

Activity (Go SEA)

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