UCSF

ZINC33767623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 3.56 11.47 -15.16 0 6 0 53 471.667 11
Mid Mid (pH 6-8) 3.56 13.81 -41.98 1 6 1 54 472.675 11

Activity (Go SEA)

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