UCSF

ZINC59538391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 38 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) 8.51 17.97 -13.59 1 5 0 51 504.63 5
Mid Mid (pH 6-8) 8.51 18.22 -78.87 2 5 0 52 505.638 5

Activity (Go SEA)

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