UCSF

ZINC33812618

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 3.52 15.29 -75.25 1 7 1 75 500.714 5
Mid Mid (pH 6-8) 3.52 11.17 -16.81 0 7 0 74 499.706 5

Activity (Go SEA)

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