UCSF

ZINC37855099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.78 -0.54 -47.04 3 6 1 76 247.315 8
Hi High (pH 8-9.5) -0.78 -1.97 -9 2 6 0 71 246.307 8
Mid Mid (pH 6-8) -0.78 0 -34.88 2 6 0 78 246.307 8
Mid Mid (pH 6-8) -0.78 2.31 -47.9 3 6 1 80 247.315 8
Lo Low (pH 4.5-6) -0.78 1.78 -111.26 4 6 2 77 248.323 8

Activity (Go SEA)

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