UCSF

ZINC23675393

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 23 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) 1.82 5.15 -45.77 3 5 1 76 315.393 8
Hi High (pH 8-9.5) 1.82 3.75 -13.6 2 5 0 71 314.385 8

Activity (Go SEA)

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