UCSF

ZINC26378426

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 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) 0.77 5.95 -37.14 4 7 1 94 332.428 7
Hi High (pH 8-9.5) 0.77 3.77 -12.96 3 7 0 93 331.42 7

Activity (Go SEA)

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