UCSF

ZINC08709298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 24 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) 2.15 -1.67 -10.56 0 5 0 47 343.452 5
Mid Mid (pH 6-8) 2.15 -1.43 -38.5 1 5 1 48 344.46 5

Activity (Go SEA)

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