UCSF

ZINC16644396

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 26 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) 2.66 9.27 -13.83 2 7 0 95 354.41 3
Mid Mid (pH 6-8) 2.66 9.12 -50.63 3 7 1 97 355.418 3

Activity (Go SEA)

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