UCSF

ZINC17720116

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 25 No

Other Names:

MFCD02045378

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) 3.65 9.95 -58.65 0 4 -1 60 352.797 5
Mid Mid (pH 6-8) 3.07 9.54 -9.06 0 4 0 54 353.805 5
Mid Mid (pH 6-8) 4.10 8.17 -24.23 1 4 0 58 353.805 4

Activity (Go SEA)

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