UCSF

ZINC37802039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.42 3.54 -50.88 3 4 1 51 294.444 3
Hi High (pH 8-9.5) 1.42 3.35 -7.78 2 4 0 50 293.436 3
Mid Mid (pH 6-8) 1.42 5.76 -117.7 4 4 2 52 295.452 3

Activity (Go SEA)

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