UCSF

ZINC18193358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 37 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) 7.70 16.24 -11.2 0 4 0 38 485.631 6
Mid Mid (pH 6-8) 7.70 18.25 -48.23 1 4 1 39 486.639 6
Mid Mid (pH 6-8) 7.70 18.54 -47.08 1 4 1 39 486.639 6

Activity (Go SEA)

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