UCSF

ZINC53400150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 2.42 5.27 -7.52 0 5 0 42 326.824 8
Mid Mid (pH 6-8) 2.42 7.55 -43.84 1 5 1 43 327.832 8
Mid Mid (pH 6-8) 2.42 7.55 -42.75 1 5 1 43 327.832 8

Activity (Go SEA)

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

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