UCSF

ZINC35500685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.75 5.67 -61.9 3 4 1 63 291.277 3
Hi High (pH 8-9.5) 3.20 2.03 -47.45 1 4 -1 61 289.261 3
Mid Mid (pH 6-8) 3.20 3.04 -79.72 2 4 0 66 290.269 3

Activity (Go SEA)

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