UCSF

ZINC25398095

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 31 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) 3.02 3.69 -27.48 3 8 0 121 459.549 7
Mid Mid (pH 6-8) 3.02 3.77 -63.11 2 8 -1 124 458.541 7

Activity (Go SEA)

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