UCSF

ZINC43981950

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) 2.86 10.2 -101.06 3 3 2 24 279.472 9
Hi High (pH 8-9.5) 2.86 7.94 -33.51 2 3 1 20 278.464 9
Hi High (pH 8-9.5) 2.86 7.72 -37.18 2 3 1 23 278.464 9
Hi High (pH 8-9.5) 2.86 7.34 -34.65 2 3 1 20 278.464 9
Mid Mid (pH 6-8) 2.86 10.44 -109.3 3 3 2 21 279.472 9
Lo Low (pH 4.5-6) 2.86 9.78 -205.04 4 3 3 25 280.48 9

Activity (Go SEA)

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