UCSF

ZINC44515731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 2.46 9.78 -96.04 3 2 2 21 248.414 5
Hi High (pH 8-9.5) 2.46 8.59 -34.32 2 2 1 16 247.406 5

Activity (Go SEA)

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