UCSF

ZINC05687031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 26 No

Other Names:

MFCD02045371

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) 3.08 8.08 -60.68 0 5 -1 70 348.378 6
Mid Mid (pH 6-8) 3.52 1.04 -18.09 1 5 0 66 349.386 5
Mid Mid (pH 6-8) 2.50 0.8 -11.54 0 5 0 63 349.386 6

Activity (Go SEA)

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