UCSF

ZINC35013021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.31 4.72 -41.88 2 4 1 37 240.371 4
Mid Mid (pH 6-8) 0.31 3.5 -48.51 2 4 1 40 240.371 4
Mid Mid (pH 6-8) 0.31 5.94 -125.14 3 4 2 41 241.379 4

Activity (Go SEA)

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