UCSF

ZINC00646478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD03847681

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) 3.87 10.4 -14.47 2 7 0 85 425.29 3
Lo Low (pH 4.5-6) 4.05 10.44 -36.72 3 7 1 90 426.298 3

Activity (Go SEA)

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