UCSF

ZINC22752226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 3.98 6.84 -46.78 2 7 1 76 421.308 5
Mid Mid (pH 6-8) 3.98 6.93 -37.97 2 7 1 76 421.308 5
Mid Mid (pH 6-8) 3.98 4.65 -10.82 1 7 0 74 420.3 5

Activity (Go SEA)

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

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