UCSF

ZINC21971292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 33 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) 2.79 5.93 -14.42 2 8 0 99 472.611 8
Mid Mid (pH 6-8) 2.79 8.26 -55.5 3 8 1 100 473.619 8

Activity (Go SEA)

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