UCSF

ZINC34179537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 0.91 3.07 -27.2 2 3 1 38 167.232 3
Hi High (pH 8-9.5) 0.91 2.75 -5.52 1 3 0 36 166.224 3

Activity (Go SEA)

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