UCSF

ZINC37850705

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) -0.16 1.54 -43.51 3 5 1 68 255.338 10
Hi High (pH 8-9.5) -0.16 0.16 -9.43 2 5 0 64 254.33 10

Activity (Go SEA)

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