UCSF

ZINC15937680

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 15 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) -0.93 -0.08 -15.28 2 6 0 84 203.205 3
Lo Low (pH 4.5-6) -0.93 0.2 -50.12 3 6 1 85 204.213 3

Activity (Go SEA)

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

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