UCSF

ZINC06420254

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 27 No

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) 2.36 7.7 -46.97 0 6 -1 83 406.245 6
Mid Mid (pH 6-8) 2.80 6.91 -19.76 1 6 0 80 407.253 5
Mid Mid (pH 6-8) 1.77 7.1 -14.33 0 6 0 77 407.253 6
Lo Low (pH 4.5-6) 1.77 7.38 -46.51 1 6 1 78 408.261 6
Lo Low (pH 4.5-6) 2.36 6.95 -53.12 2 6 1 81 408.261 6

Activity (Go SEA)

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