UCSF

ZINC40028205

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 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) 1.24 6.07 -59.3 0 7 -1 92 377.376 5
Lo Low (pH 4.5-6) 1.24 5.33 -16.68 1 7 0 89 378.384 5

Activity (Go SEA)

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