UCSF

ZINC43120124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 36 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) -2.06 17.97 -65.43 0 4 2 14 492.796 15
Mid Mid (pH 6-8) -2.06 19.91 -134.55 1 4 3 15 493.804 15

Activity (Go SEA)

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