UCSF

ZINC44622250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 1.23 8.21 -30.23 1 3 0 45 292.198 5
Hi High (pH 8-9.5) 1.23 6.56 -42.87 0 3 -1 43 291.19 5

Activity (Go SEA)

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