UCSF

ZINC20372824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 23 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) 2.85 7.71 -44.19 2 5 1 50 376.278 3
Mid Mid (pH 6-8) 2.85 5.24 -12.39 1 5 0 48 375.27 3

Activity (Go SEA)

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