UCSF

ZINC44115434

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 14 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) 1.45 0.77 -3.43 1 3 0 33 199.294 1
Mid Mid (pH 6-8) 1.45 2.72 -29.49 2 3 1 34 200.302 1

Activity (Go SEA)

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