UCSF

ZINC21301387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 24 Yes

Other Names:

MFCD01076281

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) 1.85 8.28 -42.57 3 5 0 94 329.396 7
Hi High (pH 8-9.5) 1.85 8.03 -49.08 2 5 -1 92 328.388 7

Activity (Go SEA)

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