UCSF

ZINC00647844

Substance Information

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

Other Names:

MFCD02604983

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) 6.06 12.59 -14.28 2 6 0 116 478.596 5
Lo Low (pH 4.5-6) 6.06 12.44 -55.44 3 6 1 117 479.604 5

Activity (Go SEA)

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