UCSF

ZINC37039582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.59 1.29 -90.1 4 4 2 45 215.341 4
Mid Mid (pH 6-8) -0.59 -0.65 -43.15 3 4 1 43 214.333 4

Activity (Go SEA)

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