UCSF

ZINC12468919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 27 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) 4.64 7.66 -14.15 2 6 0 87 377.425 3
Mid Mid (pH 6-8) 5.10 5.88 -53.44 1 6 -1 91 376.417 3

Activity (Go SEA)

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