UCSF

ZINC28099857

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 27 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) 5.37 11.65 -75.34 3 4 2 40 373.585 11
Mid Mid (pH 6-8) 5.37 11.15 -36.36 2 4 1 39 372.577 11

Activity (Go SEA)

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