UCSF

ZINC37240216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 11 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) 1.12 3.89 -31.88 2 2 1 16 155.265 3
Hi High (pH 8-9.5) 1.12 1.54 -0.98 1 2 0 15 154.257 3
Lo Low (pH 4.5-6) 1.12 2.84 -37 2 2 1 20 155.265 3
Lo Low (pH 4.5-6) 1.12 5.19 -104.51 3 2 2 21 156.273 3

Activity (Go SEA)

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