UCSF

ZINC34475804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.16 4.47 -33.37 4 3 1 42 220.34 4
Mid Mid (pH 6-8) 1.16 5.34 -108.45 5 3 2 47 221.348 4

Activity (Go SEA)

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