UCSF

ZINC43388324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 4.07 8.25 -4.63 1 1 0 12 263.743 5
Mid Mid (pH 6-8) 4.07 9.61 -52.26 2 1 1 17 264.751 5

Activity (Go SEA)

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