UCSF

ZINC44123185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.45 5.03 -35.29 2 3 1 28 249.378 4
Hi High (pH 8-9.5) 1.45 2.64 -3.74 1 3 0 27 248.37 4
Mid Mid (pH 6-8) 1.45 6.95 -110.62 3 3 2 29 250.386 4

Activity (Go SEA)

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