UCSF

ZINC09244133

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 No

Other Names:

MFCD03779700

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) 2.75 6.25 -63.78 1 7 -1 99 444.891 10
Mid Mid (pH 6-8) 3.19 5.76 -16.56 2 7 0 96 445.899 9

Activity (Go SEA)

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