UCSF

ZINC34627691

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.57 8.33 -35.81 1 2 1 14 222.352 5
Hi High (pH 8-9.5) 3.57 6.19 -3.3 0 2 0 12 221.344 5

Activity (Go SEA)

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