UCSF

ZINC43419874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) -0.33 4.67 -56.08 3 5 1 89 310.443 7
Hi High (pH 8-9.5) -0.33 4.37 -11.05 2 5 0 87 309.435 7

Activity (Go SEA)

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