UCSF

ZINC13133930

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 32 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) 4.91 9.25 -17.43 2 6 0 88 467.547 6
Hi High (pH 8-9.5) 4.91 9.36 -50.18 1 6 -1 90 466.539 6

Activity (Go SEA)

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