UCSF

ZINC05154578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 Yes

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) 1.80 1.11 -46.49 2 6 -1 94 259.289 5
Mid Mid (pH 6-8) 1.34 2.59 -13.69 3 6 0 91 260.297 5

Activity (Go SEA)

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