UCSF

ZINC22015387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Other Names:

MFCD08166655

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) 3.21 5.79 -9.25 1 2 0 33 235.286 2
Lo Low (pH 4.5-6) 3.21 6.18 -30.21 2 2 1 34 236.294 2

Activity (Go SEA)

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