UCSF

ZINC20121079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 0.30 4.47 -46.53 1 6 1 51 239.347 3
Mid Mid (pH 6-8) 0.30 3.63 -44.39 1 6 1 51 239.347 3
Mid Mid (pH 6-8) 0.30 2 -10.15 0 6 0 50 238.339 3

Activity (Go SEA)

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

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