UCSF

ZINC06720274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 31 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) 4.20 10.13 -20.38 2 6 0 80 417.509 4
Mid Mid (pH 6-8) 4.34 -1 -13.36 1 6 0 80 417.509 4
Mid Mid (pH 6-8) 4.34 0.02 -13.72 1 6 0 80 417.509 4
Lo Low (pH 4.5-6) 4.34 -1.35 -30.71 2 6 1 81 418.517 4
Lo Low (pH 4.5-6) 4.34 -0.33 -35.55 2 6 1 81 418.517 4

Activity (Go SEA)

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