UCSF

ZINC09329922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 27 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) 2.57 7.66 -46.63 1 5 -1 81 362.405 5
Ref Reference (pH 7) 2.57 7.92 -66.77 1 5 -1 81 362.405 6
Lo Low (pH 4.5-6) 2.57 6.96 -18.26 2 5 0 78 363.413 6

Activity (Go SEA)

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