UCSF

ZINC42693215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 16 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) 1.82 4.95 -37.78 2 3 1 33 223.34 7
Hi High (pH 8-9.5) 1.82 3.77 -3.12 1 3 0 28 222.332 7
Mid Mid (pH 6-8) 1.82 6.17 -32.02 2 3 1 30 223.34 7

Activity (Go SEA)

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