UCSF

ZINC21794282

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 4.86 11.84 -31.82 3 6 1 71 402.522 5
Mid Mid (pH 6-8) 4.86 11.97 -35.92 3 6 1 71 402.522 5
Mid Mid (pH 6-8) 4.86 11.7 -15.68 2 6 0 70 401.514 5

Activity (Go SEA)

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