UCSF

ZINC36231457

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.17 -0.93 -9.3 2 5 0 71 275.352 5
Mid Mid (pH 6-8) 0.17 1.42 -39.54 3 5 1 72 276.36 5
Mid Mid (pH 6-8) 0.17 1.37 -47.59 3 5 1 72 276.36 5

Activity (Go SEA)

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