UCSF

ZINC36231723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) -0.48 1.45 -52.06 1 7 -1 87 284.336 3
Mid Mid (pH 6-8) -0.48 3.74 -74.73 2 7 0 88 285.344 3

Activity (Go SEA)

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