UCSF

ZINC04285010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 22 No

Other Names:

MFCD03067413

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) 3.75 9.74 -13.02 0 3 0 47 299.414 6
Mid Mid (pH 6-8) 4.33 1.39 -31.49 2 3 1 51 300.422 5
Mid Mid (pH 6-8) 3.75 0.82 -36.48 1 3 1 48 300.422 6

Activity (Go SEA)

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