UCSF

ZINC45619039

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 0.51 1.8 -32.27 2 3 1 28 187.307 4
Hi High (pH 8-9.5) 0.51 -0.46 -3.37 1 3 0 27 186.299 4
Mid Mid (pH 6-8) 0.51 1.91 -33.58 2 3 1 28 187.307 4

Activity (Go SEA)

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