UCSF

ZINC28813360

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 31 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) 3.91 6.52 -24.82 2 6 0 96 432.501 5
Mid Mid (pH 6-8) 3.91 6.96 -48.67 1 6 -1 99 431.493 5

Activity (Go SEA)

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