UCSF

ZINC19726732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.28 1.3 -48.06 0 5 -1 65 241.292 3
Lo Low (pH 4.5-6) 0.28 3.63 -66.05 1 5 0 67 242.3 3

Activity (Go SEA)

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

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