UCSF

ZINC69461215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 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) 1.38 3.46 -11.11 1 5 0 53 316.401 3
Mid Mid (pH 6-8) 1.38 5.67 -43.32 2 5 1 54 317.409 3

Activity (Go SEA)

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