UCSF

ZINC36200121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.12 1.9 -42.8 3 5 1 66 247.359 9
Hi High (pH 8-9.5) 0.12 1.59 -5.89 2 5 0 65 246.351 9

Activity (Go SEA)

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