UCSF

ZINC20070830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.98 5.72 -121.37 4 5 2 59 291.395 5
Hi High (pH 8-9.5) 1.98 2.12 -11.22 2 5 0 54 289.379 5
Hi High (pH 8-9.5) 1.98 3.29 -49.3 3 5 1 58 290.387 5
Mid Mid (pH 6-8) 1.98 4.55 -44.5 3 5 1 55 290.387 5

Activity (Go SEA)

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