UCSF

ZINC36754981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 4.12 8.56 -9.73 1 3 0 46 282.73 2
Hi High (pH 8-9.5) 4.58 6.71 -52.35 0 3 -1 49 281.722 2

Activity (Go SEA)

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