UCSF

ZINC54522349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 15 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) -1.74 2.11 -45.95 2 5 0 91 233.289 4
Hi High (pH 8-9.5) -1.74 1.07 -58.11 1 5 -1 86 232.281 4

Activity (Go SEA)

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