UCSF

ZINC26439473

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 22 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) 1.20 7.47 -42.77 1 5 1 37 310.462 3
Mid Mid (pH 6-8) 1.20 5.84 -40.58 1 5 1 37 310.462 3

Activity (Go SEA)

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