UCSF

ZINC02497159

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) 3.15 10.57 -35.05 1 3 1 28 245.346 5
Mid Mid (pH 6-8) 3.15 10.06 -9.61 0 3 0 27 244.338 5

Activity (Go SEA)

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