UCSF

ZINC58379355

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 21 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) 2.39 6.26 -9.79 1 5 0 54 289.379 4
Mid Mid (pH 6-8) 2.39 6.6 -34.49 2 5 1 56 290.387 4

Activity (Go SEA)

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