UCSF

ZINC34379675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 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) 1.61 5.45 -54.14 4 8 1 101 498.604 7
Hi High (pH 8-9.5) 1.61 3.21 -16.14 3 8 0 100 497.596 7

Activity (Go SEA)

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