UCSF

ZINC34684919

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) 2.32 5.3 -10.36 1 7 0 74 405.502 6
Mid Mid (pH 6-8) 2.32 7.58 -47.74 2 7 1 76 406.51 6
Mid Mid (pH 6-8) 2.32 5.26 -38.32 2 7 1 76 406.51 6
Lo Low (pH 4.5-6) 2.32 7.98 -92.19 3 7 2 77 407.518 6

Activity (Go SEA)

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