UCSF

ZINC19210575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 3.82 8.21 -15.99 2 8 0 105 486.524 6
Lo Low (pH 4.5-6) 3.82 9.46 -49.36 3 8 1 110 487.532 6
Lo Low (pH 4.5-6) 3.82 9.15 -55.35 3 8 1 110 487.532 6

Activity (Go SEA)

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