UCSF

ZINC12376505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 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) 2.23 3.7 -45.79 2 5 -1 81 272.309 3
Mid Mid (pH 6-8) 2.23 3.64 -46.78 2 5 -1 81 272.309 3

Activity (Go SEA)

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

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