UCSF

ZINC49339864

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) -0.88 3.56 -33.55 1 7 0 87 268.317 6
Mid Mid (pH 6-8) -0.88 3.63 -53.78 1 7 0 87 268.317 6
Mid Mid (pH 6-8) -0.88 1.37 -46.83 0 7 -1 86 267.309 6

Activity (Go SEA)

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

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