UCSF

ZINC69980028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 1.56 3.69 -15.85 2 6 0 84 345.852 4
Hi High (pH 8-9.5) 1.56 4.08 -48.15 1 6 -1 81 344.844 4

Activity (Go SEA)

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

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