UCSF

ZINC43606265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 0.67 3.3 -50.6 3 4 1 59 214.314 4
Hi High (pH 8-9.5) 0.86 2.04 -53.72 2 4 0 65 213.306 4

Activity (Go SEA)

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