UCSF

ZINC16635098

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 25 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) 2.07 5.36 -41.89 1 6 -1 79 354.411 4
Mid Mid (pH 6-8) 1.62 6.62 -13.12 2 6 0 76 355.419 4

Activity (Go SEA)

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