UCSF

ZINC00391416

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 11 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) 1.84 4.95 -37.65 0 2 -1 40 153.201 0
Mid Mid (pH 6-8) 1.02 4.88 -9.38 0 2 0 34 154.209 0

Activity (Go SEA)

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