UCSF

ZINC69487876

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 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) 1.41 3.36 -47.65 0 6 -1 86 311.317 3
Mid Mid (pH 6-8) 1.23 5.8 -14.18 1 6 0 80 312.325 3
Mid Mid (pH 6-8) 1.23 5.82 -15.04 1 6 0 80 312.325 3

Activity (Go SEA)

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

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