UCSF

ZINC37180352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 3.53 4.56 -41.14 3 4 1 67 260.361 3
Hi High (pH 8-9.5) 3.53 4.23 -6.32 2 4 0 65 259.353 3

Activity (Go SEA)

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