UCSF

ZINC41672362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.22 6.65 -35.98 2 4 1 43 271.406 9
Hi High (pH 8-9.5) 2.22 4.53 -5.67 1 4 0 42 270.398 9

Activity (Go SEA)

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