UCSF

ZINC19897618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 Yes

Other Names:

MFCD09758140

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) 3.04 8.35 -7.17 1 5 0 64 341.798 6
Mid Mid (pH 6-8) 3.04 8.75 -39.92 2 5 1 65 342.806 6
Lo Low (pH 4.5-6) 3.04 9.19 -81.49 3 5 2 67 343.814 6

Activity (Go SEA)

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