UCSF

ZINC31977831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.30 2.06 -47.54 3 4 1 49 251.35 6
Mid Mid (pH 6-8) 1.30 4.39 -92.44 4 4 2 51 252.358 6

Activity (Go SEA)

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