UCSF

ZINC36683397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 3.74 7.34 -40.49 2 2 1 26 242.77 6
Hi High (pH 8-9.5) 3.74 5.96 -3.62 1 2 0 21 241.762 6

Activity (Go SEA)

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