UCSF

ZINC34535051

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.96 6.76 -109.88 4 2 2 32 206.333 5
Hi High (pH 8-9.5) 1.96 6.5 -32.37 3 2 1 30 205.325 5
Mid Mid (pH 6-8) 1.96 4.67 -35.86 3 2 1 31 205.325 5

Activity (Go SEA)

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