UCSF

ZINC04065346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 26 Yes

Other Names:

MFCD00365904

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) 3.98 6.35 -8.95 2 7 0 86 362.426 9
Lo Low (pH 4.5-6) 3.61 4.84 -37.4 3 7 1 91 363.434 9

Activity (Go SEA)

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