UCSF

ZINC22066115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 15 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) 1.67 7.82 -36.33 1 2 1 17 203.309 5
Hi High (pH 8-9.5) 1.67 5.86 -5.41 0 2 0 16 202.301 5

Activity (Go SEA)

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