UCSF

ZINC34891806

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 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) 2.30 9 -44.76 6 6 1 101 303.349 4
Mid Mid (pH 6-8) 2.17 8.47 -12.9 5 6 0 102 302.341 3

Activity (Go SEA)

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