UCSF

ZINC00334522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Other Names:

MFCD04971335

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) 2.73 -2.55 -12.35 1 5 0 62 304.371 2
Lo Low (pH 4.5-6) 2.73 -2.49 -41.35 2 5 1 63 305.379 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.