UCSF

ZINC34673851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 16 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) -0.73 2.38 -13.13 0 5 0 57 225.292 5
Mid Mid (pH 6-8) -0.73 4.64 -48.99 1 5 1 58 226.3 5

Activity (Go SEA)

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