UCSF

ZINC16598790

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 23 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) 3.61 7.57 -32.24 3 5 0 62 309.393 5
Mid Mid (pH 6-8) 3.61 7.47 -10.69 2 5 0 61 308.385 5

Activity (Go SEA)

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