UCSF

ZINC08894370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 34 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) 6.14 13.71 -54.13 0 5 -1 73 471.533 5
Mid Mid (pH 6-8) 5.55 13.68 -16.82 0 5 0 67 472.541 5
Mid Mid (pH 6-8) 6.58 12.7 -26.68 1 5 0 71 472.541 4

Activity (Go SEA)

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