UCSF

ZINC37039257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) -0.45 -0.56 -52.97 3 6 1 71 279.43 6
Mid Mid (pH 6-8) -0.45 1.16 -114.27 4 6 2 73 280.438 6

Activity (Go SEA)

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