UCSF

ZINC12547211

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 23 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) 2.91 10.19 -12.33 0 5 0 57 328.393 5
Mid Mid (pH 6-8) 2.91 10.65 -45.69 1 5 1 59 329.401 5

Activity (Go SEA)

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