UCSF

ZINC37025363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 10 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) 0.32 -0.02 -38.6 3 3 1 46 148.226 6
Hi High (pH 8-9.5) 0.32 -1.48 -4.09 2 3 0 41 147.218 6

Activity (Go SEA)

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