UCSF

ZINC37012160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 4.22 2.52 -49.37 4 3 1 57 251.253 4
Hi High (pH 8-9.5) 4.22 2.12 -6.91 3 3 0 55 250.245 4

Activity (Go SEA)

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