UCSF

ZINC22927805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 Yes

Other Names:

MFCD08061245

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) 1.02 6.7 -94.55 3 3 2 21 213.369 3
Hi High (pH 8-9.5) 1.02 4.63 -32.49 2 3 1 20 212.361 3
Hi High (pH 8-9.5) 1.02 4.61 -28.76 2 3 1 20 212.361 3

Activity (Go SEA)

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