UCSF

ZINC43377760

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.65 2.24 -46.96 3 3 1 40 255.304 4
Hi High (pH 8-9.5) 1.65 2.1 -2.94 2 3 0 38 254.296 4

Activity (Go SEA)

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