UCSF

ZINC44649109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 1.81 5.25 -51.03 3 5 1 72 287.286 7
Hi High (pH 8-9.5) 1.81 3.9 -9.92 2 5 0 67 286.278 7

Activity (Go SEA)

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