UCSF

ZINC19973561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 No

Other Names:

MFCD03509748

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) -2.84 9.39 -34.2 2 9 1 101 444.519 3
Mid Mid (pH 6-8) -2.84 11.79 -89.99 3 9 2 102 445.527 3
Lo Low (pH 4.5-6) -2.84 12.22 -155.11 4 9 3 103 446.535 3

Activity (Go SEA)

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