UCSF

ZINC37839394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 No

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) -0.21 4.76 -14.86 0 4 0 47 187.239 5
Hi High (pH 8-9.5) -0.20 3.71 -49.62 0 4 -1 53 186.231 5

Activity (Go SEA)

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