UCSF

ZINC04096970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 28 Yes

Other Names:

MFCD00237866

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) -5.69 3.75 -212.74 5 13 -3 246 402.336 14
Hi High (pH 8-9.5) -5.69 3.5 -253.13 4 13 -4 245 401.328 14
Lo Low (pH 4.5-6) -5.69 1.83 -147.48 6 13 -2 244 403.344 14

Activity (Go SEA)

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