UCSF

ZINC42427609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.40 2.76 -91.77 4 3 2 35 201.358 5
Hi High (pH 8-9.5) 0.40 3 -82.92 4 3 2 35 201.358 5
Mid Mid (pH 6-8) 0.40 5.24 -172.49 5 3 3 37 202.366 5

Activity (Go SEA)

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