UCSF

ZINC13122455

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 No

Other Names:

MFCD03044356

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) 2.70 6.8 -58.31 1 5 -1 81 368.384 5
Lo Low (pH 4.5-6) 2.70 6.05 -12.29 2 5 0 78 369.392 5

Activity (Go SEA)

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