UCSF

ZINC05408723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 No

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) 2.02 6.75 -59.69 0 6 -1 79 352.366 5
Mid Mid (pH 6-8) 2.47 -1.58 -21.33 1 6 0 76 353.374 4
Mid Mid (pH 6-8) 1.44 0.69 -13.35 0 6 0 72 353.374 5

Activity (Go SEA)

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