UCSF

ZINC06058426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 17 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) -0.98 0.32 -49.01 9 8 1 160 257.299 5
Mid Mid (pH 6-8) -0.98 0.4 -13.62 8 8 0 158 256.291 5
Mid Mid (pH 6-8) -0.98 0.34 -13.36 8 8 0 158 256.291 5
Lo Low (pH 4.5-6) -1.11 0.12 -57.81 9 8 0 162 257.299 4
Lo Low (pH 4.5-6) -1.11 -0.07 -16.4 8 8 0 160 256.291 4
Lo Low (pH 4.5-6) -1.11 -0.28 -45.3 9 8 1 162 257.299 4
Lo Low (pH 4.5-6) -1.11 -0.42 -13.29 8 8 0 160 256.291 4
Lo Low (pH 4.5-6) -1.11 0.17 -12.56 8 8 0 160 256.291 4

Activity (Go SEA)

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