UCSF

ZINC04172012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 Yes

Other Names:

MFCD03543002

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) 4.36 14.87 -12.59 1 7 0 78 404.47 7
Lo Low (pH 4.5-6) 4.54 15.32 -54.29 2 7 1 83 405.478 7

Activity (Go SEA)

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