UCSF

ZINC23623329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 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) 5.50 8.98 -18.9 2 6 0 85 458.967 8
Mid Mid (pH 6-8) 5.50 9.05 -51.62 1 6 -1 87 457.959 8

Activity (Go SEA)

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