UCSF

ZINC44516535

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.63 10.81 -110.58 3 4 2 39 286.423 5
Hi High (pH 8-9.5) 1.63 9.57 -38.54 2 4 1 34 285.415 5
Mid Mid (pH 6-8) 1.63 11.32 -157.68 4 4 3 40 287.431 5

Activity (Go SEA)

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