UCSF

ZINC12564262

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 21 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) 3.36 12.74 -38.32 1 4 1 35 287.431 4
Mid Mid (pH 6-8) 3.36 13 -93.99 2 4 2 36 288.439 4

Activity (Go SEA)

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