UCSF

ZINC42608240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 0.63 5.29 -49.4 0 7 -1 80 284.336 8
Mid Mid (pH 6-8) 0.63 5.41 -35.02 1 7 0 81 285.344 8

Activity (Go SEA)

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