UCSF

ZINC69187349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 21 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) 2.21 9.44 -13.89 1 6 0 69 312.439 10
Mid Mid (pH 6-8) 2.21 9.87 -44.05 2 6 1 74 313.447 10

Activity (Go SEA)

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

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