UCSF

ZINC37831669

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.24 6.81 -76.27 1 5 0 65 240.303 4
Mid Mid (pH 6-8) 0.24 4.58 -52.92 0 5 -1 64 239.295 4

Activity (Go SEA)

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