UCSF

ZINC02028916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 13 Yes

Other Names:

MFCD03086038

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) 3.93 1.65 -3.8 0 1 0 12 175.275 5
Lo Low (pH 4.5-6) 3.93 1.75 -30.5 1 1 1 14 176.283 5

Activity (Go SEA)

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