UCSF

ZINC18173023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 21 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) 1.52 7.76 -17.13 2 6 0 87 285.303 6
Mid Mid (pH 6-8) 1.52 8.22 -48.09 3 6 1 88 286.311 6

Activity (Go SEA)

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