UCSF

ZINC19271428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 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) -0.01 2.28 -45.04 3 3 1 40 221.324 2
Hi High (pH 8-9.5) -0.01 1.62 -3.73 2 3 0 38 220.316 2
Mid Mid (pH 6-8) -0.01 4.63 -131.29 4 3 2 41 222.332 2
Mid Mid (pH 6-8) -0.01 4.2 -35.7 3 3 1 40 221.324 2

Activity (Go SEA)

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