UCSF

ZINC08384145

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 34 No

Other Names:

MFCD04148034

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) 4.19 10.97 -51.95 0 7 -1 92 481.525 9
Mid Mid (pH 6-8) 3.61 0.41 -16.34 0 7 0 85 482.533 9
Mid Mid (pH 6-8) 4.64 0.2 -26.23 1 7 0 88 482.533 8

Activity (Go SEA)

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