UCSF

ZINC00384844

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Other Names:

MFCD03699768

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) 0.96 1.27 -38.64 3 6 1 85 225.253 0
Hi High (pH 8-9.5) 1.42 -1.48 -51.86 2 6 0 88 224.245 0

Activity (Go SEA)

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

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