UCSF

ZINC69699210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 3.36 8.42 -39.52 2 3 1 34 261.389 5
Hi High (pH 8-9.5) 3.36 5.99 -8.07 1 3 0 32 260.381 5

Activity (Go SEA)

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