UCSF

ZINC37039187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.08 0.62 -51.56 3 6 1 71 293.457 7
Mid Mid (pH 6-8) -0.08 2.5 -121.66 4 6 2 73 294.465 7

Activity (Go SEA)

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