UCSF

ZINC00651582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 No

Other Names:

MFCD03759031

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) 6.03 8.28 -16.14 2 8 0 107 547.416 9
Hi High (pH 8-9.5) 6.03 8.31 -55.43 1 8 -1 109 546.408 9

Activity (Go SEA)

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

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