UCSF

ZINC37818478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.02 4.89 -46.69 2 5 1 53 289.403 6
Hi High (pH 8-9.5) 0.02 3.53 -10.25 1 5 0 48 288.395 6
Mid Mid (pH 6-8) 0.02 7.11 -110.03 3 5 2 54 290.411 6

Activity (Go SEA)

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