UCSF

ZINC36877949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.83 6.69 -55.78 4 3 1 56 268.315 3
Mid Mid (pH 6-8) 2.83 6.75 -37.11 4 3 1 56 268.315 3
Mid Mid (pH 6-8) 2.83 6.37 -8.34 3 3 0 55 267.307 3

Activity (Go SEA)

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

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