UCSF

ZINC25424888

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 34 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) 2.65 7.97 -11.6 1 7 0 87 498.605 6
Mid Mid (pH 6-8) 2.65 10.32 -47.45 2 7 1 89 499.613 6

Activity (Go SEA)

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