UCSF

ZINC43970831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 1.95 5.17 -33.76 2 4 1 38 281.42 11
Hi High (pH 8-9.5) 1.95 4.27 -3.24 1 4 0 34 280.412 11
Mid Mid (pH 6-8) 1.95 6.62 -117 3 4 2 40 282.428 11

Activity (Go SEA)

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