UCSF

ZINC13681877

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

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) 2.95 9.39 -19.33 2 5 0 79 418.537 4
Lo Low (pH 4.5-6) 2.95 9.66 -46.45 3 5 1 81 419.545 4

Activity (Go SEA)

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

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