UCSF

ZINC08894191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 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) 5.54 12.93 -52.28 0 9 -1 128 514.539 7
Mid Mid (pH 6-8) 5.98 11.87 -29.43 1 9 0 126 515.547 6

Activity (Go SEA)

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