UCSF

ZINC42464699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.47 3.03 -25.05 2 5 1 52 240.327 4
Hi High (pH 8-9.5) 0.47 2.9 -7.33 1 5 0 51 239.319 4

Activity (Go SEA)

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