UCSF

ZINC69878542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 0.60 6.95 -14.18 0 7 0 62 295.35 3
Mid Mid (pH 6-8) 0.60 9.18 -54.06 1 7 1 64 296.358 3
Mid Mid (pH 6-8) 0.60 7.69 -46.53 1 7 1 64 296.358 3

Activity (Go SEA)

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

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