UCSF

ZINC02548190

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 2.31 5.29 -10.09 2 7 0 90 318.329 7
Mid Mid (pH 6-8) 2.31 6.18 -51.82 1 7 -1 93 317.321 7
Mid Mid (pH 6-8) 0.93 4.44 -62.45 1 7 -1 96 317.321 6

Activity (Go SEA)

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

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