UCSF

ZINC34591386

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.89 1.59 -9.44 2 4 0 67 244.246 3
Hi High (pH 8-9.5) 2.89 2.36 -47.33 1 4 -1 70 243.238 3

Activity (Go SEA)

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