UCSF

ZINC08424469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 40 No

Other Names:

MFCD01031998

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) 9.12 18.36 -65 0 5 -1 70 550.735 19
Mid Mid (pH 6-8) 9.47 2.9 -15.81 0 5 0 63 551.743 19

Activity (Go SEA)

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