UCSF

ZINC20000425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 32 No

Other Names:

MFCD02950545

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) 1.92 2.69 -12.35 3 9 0 119 439.516 8
Lo Low (pH 4.5-6) 1.92 4.97 -40.31 4 9 1 120 440.524 8

Activity (Go SEA)

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