UCSF

ZINC37839427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.93 2.65 -23.33 1 6 0 76 230.264 7
Hi High (pH 8-9.5) -0.18 1.53 -61.17 1 6 -1 82 229.256 6

Activity (Go SEA)

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