UCSF

ZINC19552060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 36 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) 4.07 10.51 -13.32 1 8 0 94 486.524 7
Lo Low (pH 4.5-6) 4.07 11.91 -49.3 2 8 1 99 487.532 7
Lo Low (pH 4.5-6) 4.07 11.27 -47.04 2 8 1 99 487.532 7

Activity (Go SEA)

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