UCSF

ZINC55063849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 2.16 7.72 -40.81 3 4 1 51 290.431 5
Mid Mid (pH 6-8) 2.16 5.88 -7.36 2 4 0 50 289.423 5

Activity (Go SEA)

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