UCSF

ZINC63122102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 21 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) 2.17 7.74 -95.82 4 3 2 35 291.483 6
Mid Mid (pH 6-8) 2.17 8.86 -99.76 4 3 2 35 291.483 6
Mid Mid (pH 6-8) 2.17 9.2 -203.15 5 3 3 37 292.491 6

Activity (Go SEA)

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