UCSF

ZINC09088150

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 No

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) 3.00 15.48 -26.18 0 7 0 80 440.29 3
Hi High (pH 8-9.5) 3.00 15.75 -54.82 0 7 -1 82 439.282 3
Mid Mid (pH 6-8) 3.00 16.24 -34.19 2 7 1 85 441.298 3
Mid Mid (pH 6-8) 3.00 15.82 -50.37 1 7 1 82 441.298 3
Lo Low (pH 4.5-6) 3.00 15.96 -35.48 1 7 1 82 441.298 3

Activity (Go SEA)

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