UCSF

ZINC44658478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 No

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) 1.16 5.89 -52.59 2 5 1 63 271.381 9
Mid Mid (pH 6-8) 1.16 4.61 -9.23 1 5 0 59 270.373 9

Activity (Go SEA)

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