UCSF

ZINC37229354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.00 4.84 -116.88 5 5 2 67 270.421 5
Hi High (pH 8-9.5) 1.00 3.63 -41.2 4 5 1 63 269.413 5
Mid Mid (pH 6-8) 1.00 2.61 -50.41 4 5 1 66 269.413 5

Activity (Go SEA)

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