UCSF

ZINC43910190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.88 10.04 -35.81 2 2 1 20 283.439 7
Mid Mid (pH 6-8) 3.88 9.17 -2.01 1 2 0 15 282.431 7
Lo Low (pH 4.5-6) 3.89 11.65 -122.87 3 2 2 21 284.447 7

Activity (Go SEA)

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