UCSF

ZINC60080887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 13 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) 3.25 8.01 -31.33 1 1 1 4 176.283 0
Mid Mid (pH 6-8) 3.25 7.83 -2.17 0 1 0 3 175.275 0

Activity (Go SEA)

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