UCSF

ZINC23282507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 19 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) 1.07 5.79 -37.28 1 5 1 37 262.381 2
Hi High (pH 8-9.5) 1.07 5.98 -40.15 1 5 1 37 262.381 2
Mid Mid (pH 6-8) 1.07 3.57 -6.62 0 5 0 35 261.373 2
Lo Low (pH 4.5-6) 1.06 9.82 -103.39 2 5 2 38 263.389 2

Activity (Go SEA)

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