UCSF

ZINC43388178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) 2.43 4.94 -5.26 1 1 0 12 197.64 3
Mid Mid (pH 6-8) 2.43 6.32 -49.08 2 1 1 17 198.648 3

Activity (Go SEA)

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