UCSF

ZINC43251766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.72 4.68 -99.03 4 3 2 35 275.849 3
Hi High (pH 8-9.5) 1.72 1.88 -1.57 2 3 0 32 273.833 3
Mid Mid (pH 6-8) 1.72 2.3 -39.24 3 3 1 34 274.841 3

Activity (Go SEA)

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