UCSF

ZINC42877156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 35 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) -4.34 -8.45 -54.29 11 15 1 245 501.565 13
Hi High (pH 8-9.5) -4.34 -8.78 -19.69 10 15 0 244 500.557 13

Activity (Go SEA)

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