UCSF

ZINC37180339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.38 3.42 -41.79 3 4 1 67 232.307 3
Hi High (pH 8-9.5) 2.38 3.09 -6.93 2 4 0 65 231.299 3

Activity (Go SEA)

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