UCSF

ZINC60615604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 24 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) 0.71 8.83 -51.15 1 8 1 91 355.802 4
Hi High (pH 8-9.5) 0.71 6.43 -17.21 0 8 0 90 354.794 4

Activity (Go SEA)

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