UCSF

ZINC00706354

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Other Names:

MFCD01192539

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) 2.37 5.06 -12.68 2 8 0 95 364.398 7
Lo Low (pH 4.5-6) 1.99 3.23 -46.31 3 8 1 100 365.406 7

Activity (Go SEA)

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