UCSF

ZINC45394563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 3.78 8.83 -111.19 3 2 2 21 287.234 3
Hi High (pH 8-9.5) 3.78 6.23 -46.8 2 2 1 20 286.226 3

Activity (Go SEA)

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