UCSF

ZINC08440815

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Other Names:

MFCD03213675

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) 4.41 11.48 -55.71 0 6 -1 79 452.502 9
Mid Mid (pH 6-8) 4.86 -0.36 -30.16 1 6 0 76 453.51 8
Mid Mid (pH 6-8) 3.83 -0.07 -22.34 0 6 0 72 453.51 9

Activity (Go SEA)

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