UCSF

ZINC26336567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 30 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) 3.41 8.95 -13.97 1 7 0 85 429.904 7
Hi High (pH 8-9.5) 3.86 6.24 -43.71 0 7 -1 88 428.896 7

Activity (Go SEA)

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