UCSF

ZINC40466462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 27 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) 3.68 7.71 -102.61 5 4 2 62 387.49 8
Hi High (pH 8-9.5) 3.68 6.35 -40.17 4 4 1 58 386.482 8

Activity (Go SEA)

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