UCSF

ZINC00227774

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Other Names:

MFCD01960331

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) -0.93 -4.73 -23.72 2 7 0 90 262.269 1
Lo Low (pH 4.5-6) -0.93 -4.61 -43.52 3 7 1 91 263.277 1

Activity (Go SEA)

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

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