UCSF

ZINC08440645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 39 No

Other Names:

MFCD03837948

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) 4.02 1.33 -20.71 1 8 0 94 535.568 12
Mid Mid (pH 6-8) 3.44 1.16 -26.58 0 8 0 91 535.568 12

Activity (Go SEA)

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