UCSF

ZINC20545868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 20 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) 4.32 5.63 -11.59 2 3 0 49 301.651 2
Mid Mid (pH 6-8) 4.32 6.67 -44.07 1 3 -1 52 300.643 2

Activity (Go SEA)

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