UCSF

ZINC40162305

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 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) 1.33 5.66 -43.15 3 3 1 48 231.319 4
Hi High (pH 8-9.5) 1.33 3.4 -8.12 2 3 0 46 230.311 4

Activity (Go SEA)

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