UCSF

ZINC61805928

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) -1.94 -1.42 -110.96 6 4 2 71 196.298 6
Hi High (pH 8-9.5) -1.94 -1.81 -44.48 5 4 1 70 195.29 6

Activity (Go SEA)

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