UCSF

ZINC41690375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.72 2.85 -5.37 1 4 0 42 283.412 7
Mid Mid (pH 6-8) 1.72 5.12 -37.24 2 4 1 43 284.42 7

Activity (Go SEA)

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