UCSF

ZINC13468236

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 27 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) 7.84 10.98 -45.97 0 3 -1 49 459.205 5
Mid Mid (pH 6-8) 7.38 11.84 -9.83 1 3 0 46 460.213 5

Activity (Go SEA)

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