UCSF

ZINC59680738

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 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) 4.44 11.21 -45.03 0 3 -1 49 297.374 7
Lo Low (pH 4.5-6) 4.44 9.23 -8.75 1 3 0 47 298.382 7

Activity (Go SEA)

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