UCSF

ZINC15685496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 33 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) 7.25 14.6 -12.28 1 4 0 47 448.547 5
Mid Mid (pH 6-8) 7.25 14.96 -36.92 2 4 1 48 449.555 5

Activity (Go SEA)

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