UCSF

ZINC35010495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.30 6.67 -47.2 3 3 1 46 275.397 6
Mid Mid (pH 6-8) 3.30 5.33 -10.77 2 3 0 41 274.389 6

Activity (Go SEA)

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