UCSF

ZINC44622875

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.93 8.58 -33.59 1 3 0 45 297.223 5
Hi High (pH 8-9.5) 0.93 5.96 -42.67 0 3 -1 43 296.215 5

Activity (Go SEA)

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