UCSF

ZINC25150068

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 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) 1.41 9.92 -14 2 9 0 134 448.508 7
Mid Mid (pH 6-8) 1.87 8.13 -52.49 1 9 -1 137 447.5 7

Activity (Go SEA)

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