UCSF

ZINC34673337

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 21 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) 5.62 10.42 -38.42 2 1 1 17 314.396 6
Hi High (pH 8-9.5) 5.62 9.23 -4.56 1 1 0 12 313.388 6

Activity (Go SEA)

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