UCSF

ZINC31853635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 25 No

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) 1.25 8.2 -11.42 0 6 0 66 354.797 2
Mid Mid (pH 6-8) 1.25 8.49 -37.66 1 6 1 68 355.805 2

Activity (Go SEA)

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