UCSF

ZINC40320312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 19 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) 1.03 5.04 -42.45 4 5 1 67 265.381 3
Mid Mid (pH 6-8) 0.59 3.77 -90.74 4 5 2 65 266.389 3

Activity (Go SEA)

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