UCSF

ZINC34623022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 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) 1.38 2.89 -43.2 3 3 1 54 166.2 4
Mid Mid (pH 6-8) 1.38 1.91 -7.45 2 3 0 52 165.192 4

Activity (Go SEA)

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