UCSF

ZINC21130933

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 23 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) 2.71 7.87 -12.63 1 4 0 49 325.437 4
Mid Mid (pH 6-8) 2.71 9.44 -70.02 2 4 1 50 326.445 4

Activity (Go SEA)

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