UCSF

ZINC40164010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 17 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) 3.57 8.59 -26 4 3 1 50 246.721 4
Hi High (pH 8-9.5) 3.44 8.74 -7.76 3 3 0 50 245.713 3

Activity (Go SEA)

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