UCSF

ZINC42876824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.58 3.51 -42.06 2 5 1 52 266.317 5
Hi High (pH 8-9.5) 1.58 0.99 -7.42 1 5 0 51 265.309 5

Activity (Go SEA)

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