UCSF

ZINC19938546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 No

Other Names:

MFCD03501945

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) 2.09 9.81 -77.51 1 7 0 87 421.497 10
Lo Low (pH 4.5-6) 2.09 8.99 -56.96 2 7 1 84 422.505 10

Activity (Go SEA)

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