UCSF

ZINC34681653

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.03 13.39 -43.42 2 6 1 53 448.566 6
Lo Low (pH 4.5-6) 4.03 13.74 -101.43 3 6 2 54 449.574 6

Activity (Go SEA)

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