UCSF

ZINC09242361

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 28 No

Other Names:

MFCD04020377

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) 1.59 3.87 -67.62 1 7 -1 99 402.448 9
Lo Low (pH 4.5-6) 1.59 3.05 -20.31 2 7 0 96 403.456 9

Activity (Go SEA)

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