UCSF

ZINC34653778

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 1.25 5.19 -88.46 4 3 2 35 209.337 5
Hi High (pH 8-9.5) 1.25 2.72 -42.35 3 3 1 34 208.329 5

Activity (Go SEA)

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