UCSF

ZINC40127629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 0.00 3.98 -38.92 1 7 1 73 325.414 8
Hi High (pH 8-9.5) 0.00 1.81 -11.49 0 7 0 72 324.406 8

Activity (Go SEA)

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