UCSF

ZINC25529189

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 1.54 7.25 -42.03 2 6 1 73 312.415 6
Mid Mid (pH 6-8) 1.54 5.03 -17.54 1 6 0 72 311.407 6

Activity (Go SEA)

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