UCSF

ZINC39907090

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.76 16.84 -13.42 0 4 0 36 456.63 11
Lo Low (pH 4.5-6) 7.76 17.24 -29.6 1 4 1 38 457.638 11

Activity (Go SEA)

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