UCSF

ZINC06294277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 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) 2.71 8.85 -47.15 0 7 -1 96 417.441 8
Mid Mid (pH 6-8) 2.71 0.3 -13.58 1 7 0 92 418.449 8
Mid Mid (pH 6-8) 2.13 0.19 -21.43 0 7 0 89 418.449 8
Lo Low (pH 4.5-6) 2.71 0.41 -41.95 2 7 1 94 419.457 8

Activity (Go SEA)

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