UCSF

ZINC37800605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.29 3.44 -50.1 2 6 1 60 299.439 6
Mid Mid (pH 6-8) -0.29 5.61 -102.73 3 6 2 62 300.447 6

Activity (Go SEA)

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