UCSF

ZINC25384233

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 25 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) 3.80 8.57 -11.02 1 3 0 32 372.559 5
Mid Mid (pH 6-8) 3.80 10.99 -40.39 2 3 1 34 373.567 5

Activity (Go SEA)

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