UCSF

ZINC43395801

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.20 7.47 -36.6 2 4 1 53 243.334 2
Hi High (pH 8-9.5) 1.20 5.05 -5.2 1 4 0 52 242.326 2

Activity (Go SEA)

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