UCSF

ZINC04522463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 11 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) 0.40 2.62 -7.3 4 5 0 81 153.189 1
Lo Low (pH 4.5-6) 0.40 2.86 -25.54 5 5 1 82 154.197 1
Lo Low (pH 4.5-6) 0.40 3.01 -88.18 6 5 2 84 155.205 1

Activity (Go SEA)

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