UCSF

ZINC45966652

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 25 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) 2.26 7.37 -13.05 1 5 0 53 410.356 7
Mid Mid (pH 6-8) 2.26 8.62 -58.97 2 5 1 57 411.364 7

Activity (Go SEA)

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