UCSF

ZINC59898919

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 21 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) 2.83 8.3 -7.6 0 3 0 33 284.403 3
Lo Low (pH 4.5-6) 2.83 8.81 -31.6 1 3 1 34 285.411 3

Activity (Go SEA)

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