UCSF

ZINC60214321

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 22 No

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) -2.28 2 -48.78 3 11 -1 181 307.198 4
Hi High (pH 8-9.5) -1.37 -0.17 -89.88 2 11 -2 184 306.19 4

Activity (Go SEA)

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