UCSF

ZINC34681534

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 4.26 10.25 -12.73 1 5 0 48 424.907 5
Mid Mid (pH 6-8) 4.26 12.36 -43.86 2 5 1 50 425.915 5
Lo Low (pH 4.5-6) 4.26 12.69 -104.61 3 5 2 51 426.923 5

Activity (Go SEA)

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