UCSF

ZINC42466429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.20 4.36 -10.07 1 5 0 63 250.298 3
Hi High (pH 8-9.5) 1.20 3.29 -28.65 1 5 0 67 250.298 3
Mid Mid (pH 6-8) 1.20 5.37 -53.15 0 5 -1 65 249.29 3
Lo Low (pH 4.5-6) 1.20 2.52 -9.45 2 5 0 64 251.306 3

Activity (Go SEA)

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