UCSF

ZINC40077214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

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) 1.03 2.03 -61.5 2 9 -1 129 442.444 10
Lo Low (pH 4.5-6) 1.03 1.28 -16.82 3 9 0 126 443.452 10

Activity (Go SEA)

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