UCSF

ZINC49333952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 1.97 6.47 -84.55 3 3 2 24 267.461 6
Mid Mid (pH 6-8) 1.97 8.47 -179.37 4 3 3 25 268.469 6
Mid Mid (pH 6-8) 1.97 7.19 -101.3 3 3 2 21 267.461 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.