UCSF

ZINC34865968

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.49 7.49 -11.35 1 4 0 42 417.352 5
Mid Mid (pH 6-8) 4.49 9.76 -46.9 2 4 1 43 418.36 5

Activity (Go SEA)

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