UCSF

ZINC19731872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 28 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) 0.81 1.92 -38.9 3 8 1 87 391.492 7
Hi High (pH 8-9.5) 0.81 0.43 -14.71 2 8 0 85 390.484 7

Activity (Go SEA)

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