UCSF

ZINC34577046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 4.69 10.82 -3.55 1 1 0 12 287.406 6
Mid Mid (pH 6-8) 4.69 12.17 -43.18 2 1 1 17 288.414 6

Activity (Go SEA)

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