UCSF

ZINC59870661

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 22 No

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) -1.52 7.18 -79 2 7 -1 117 311.358 5
Hi High (pH 8-9.5) -1.52 5.85 -137.24 1 7 -2 113 310.35 5

Activity (Go SEA)

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