UCSF

ZINC37610502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 2.37 6.31 -42.75 3 4 1 55 260.361 6
Hi High (pH 8-9.5) 2.37 5.07 -7.53 2 4 0 50 259.353 6

Activity (Go SEA)

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