UCSF

ZINC04453459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 22 No

Other Names:

MFCD01460387

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) 2.63 2.93 -8.36 3 5 0 88 298.321 3
Lo Low (pH 4.5-6) 2.64 3.96 -54.17 4 5 1 89 299.329 3

Activity (Go SEA)

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