UCSF

ZINC16599213

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 27 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) 2.63 6.98 -48.48 2 6 1 71 394.492 8
Mid Mid (pH 6-8) 2.63 4.54 -11.21 1 6 0 70 393.484 8

Activity (Go SEA)

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