UCSF

ZINC35654163

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 0.21 2.6 -44.9 3 3 1 46 194.254 3
Hi High (pH 8-9.5) 0.21 2.3 -4.78 2 3 0 44 193.246 3

Activity (Go SEA)

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