UCSF

ZINC20957647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 10 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) 0.40 4.56 -36.97 1 2 1 22 140.206 0
Mid Mid (pH 6-8) 0.40 2.33 -4.61 0 2 0 20 139.198 0

Activity (Go SEA)

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