UCSF

ZINC19259882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.25 5.97 -47.62 3 2 1 37 232.278 4
Hi High (pH 8-9.5) 1.25 5.68 -4.23 2 2 0 35 231.27 4

Activity (Go SEA)

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