UCSF

ZINC34940069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 0.72 1.3 -43.53 4 4 1 54 270.784 4
Hi High (pH 8-9.5) 0.72 0.92 -4.32 3 4 0 53 269.776 4
Mid Mid (pH 6-8) 0.72 3.56 -104.75 5 4 2 56 271.792 4

Activity (Go SEA)

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