UCSF

ZINC36159119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 2.15 0.83 -47.73 3 3 1 54 215.685 2
Hi High (pH 8-9.5) 2.15 0.42 -4.54 2 3 0 52 214.677 2

Activity (Go SEA)

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