UCSF

ZINC08964831

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.26 -2.42 -21.58 7 12 0 184 401.383 5
Lo Low (pH 4.5-6) 0.26 -2.17 -38.46 8 12 1 185 402.391 5
Lo Low (pH 4.5-6) 0.26 -6.55 -39.23 8 12 1 185 402.391 5

Activity (Go SEA)

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