UCSF

ZINC06423957

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 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) 3.68 9.78 -43 1 5 -1 81 398.438 6
Mid Mid (pH 6-8) 3.10 9.8 -21.42 1 5 0 75 399.446 6
Lo Low (pH 4.5-6) 3.68 8.66 -19.62 2 5 0 78 399.446 6

Activity (Go SEA)

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