UCSF

ZINC37822762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.01 3.1 -9.9 2 4 0 50 243.31 2
Lo Low (pH 4.5-6) 0.01 5.35 -44.04 3 4 1 51 244.318 2

Activity (Go SEA)

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