UCSF

ZINC36192119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.92 7.4 -38.4 1 3 1 31 244.362 3
Mid Mid (pH 6-8) 1.92 7.06 -47.31 1 3 1 31 244.362 3

Activity (Go SEA)

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