UCSF

ZINC34981227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.38 5.46 -44.97 2 4 1 56 210.253 6
Hi High (pH 8-9.5) 1.38 4.08 -5.83 1 4 0 51 209.245 6

Activity (Go SEA)

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