UCSF

ZINC44726049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 1.64 5.1 -24.79 2 3 1 35 195.286 5
Hi High (pH 8-9.5) 1.64 4.67 -5.47 1 3 0 34 194.278 5

Activity (Go SEA)

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