UCSF

ZINC37853893

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.27 2.12 -14.53 2 5 0 73 246.266 3
Hi High (pH 8-9.5) 0.63 -0.14 -52.35 1 5 -1 76 245.258 3

Activity (Go SEA)

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