UCSF

ZINC37048952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.23 1.49 -102.95 4 4 2 45 217.357 6
Hi High (pH 8-9.5) -0.23 -0.84 -3 2 4 0 42 215.341 6
Mid Mid (pH 6-8) -0.23 1.86 -86.44 4 4 2 45 217.357 6
Mid Mid (pH 6-8) -0.23 -0.48 -43.73 3 4 1 43 216.349 6

Activity (Go SEA)

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