UCSF

ZINC48333458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 19 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) 1.20 6.9 -94.7 2 5 2 46 295.493 11
Hi High (pH 8-9.5) 1.20 4.41 -49.17 1 5 1 45 294.485 11

Activity (Go SEA)

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