UCSF

ZINC36162463

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) 3.49 7.75 -37.71 2 2 1 34 232.347 4
Hi High (pH 8-9.5) 3.49 6.57 -8 1 2 0 29 231.339 4

Activity (Go SEA)

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