UCSF

ZINC23371883

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 22 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) -0.95 0.17 -53.19 2 9 -1 132 320.31 3
Mid Mid (pH 6-8) -0.95 0.19 -19.53 3 9 0 130 321.318 3

Activity (Go SEA)

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

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