UCSF

ZINC37856531

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.81 7.76 -51.44 3 2 1 37 329.222 6
Hi High (pH 8-9.5) 3.81 6.34 -5.35 2 2 0 32 328.214 6

Activity (Go SEA)

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