UCSF

ZINC21799936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 1.29 2.25 -9.9 1 4 0 41 251.717 2
Mid Mid (pH 6-8) 1.29 4.57 -47.18 2 4 1 42 252.725 2

Activity (Go SEA)

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