UCSF

ZINC08996244

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 29 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) 2.59 6.97 -61.77 0 7 -1 92 396.419 10
Mid Mid (pH 6-8) 2.01 8.34 -14.53 0 7 0 86 397.427 10
Mid Mid (pH 6-8) 2.59 6.14 -16.67 1 7 0 89 397.427 10

Activity (Go SEA)

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