UCSF

ZINC19440632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) -0.72 -1.03 -46.26 4 5 1 69 230.332 5
Hi High (pH 8-9.5) -0.72 -1.36 -11.3 3 5 0 68 229.324 5
Mid Mid (pH 6-8) -0.72 1.32 -99.48 5 5 2 70 231.34 5

Activity (Go SEA)

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