UCSF

ZINC37039147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.65 1.71 -49.4 3 5 1 68 316.422 6
Mid Mid (pH 6-8) 0.65 3.92 -111.62 4 5 2 69 317.43 6

Activity (Go SEA)

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