UCSF

ZINC37854261

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.54 2.47 -21.29 2 6 0 86 281.337 4
Hi High (pH 8-9.5) 1.00 0.53 -51.53 1 6 -1 89 280.329 4

Activity (Go SEA)

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