UCSF

ZINC42462435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.82 2.37 -5.48 0 4 0 39 201.266 4
Mid Mid (pH 6-8) 0.82 4.49 -36.91 1 4 1 40 202.274 4

Activity (Go SEA)

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