UCSF

ZINC44725778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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) 2.40 5.25 -43.83 2 4 1 51 317.381 5
Hi High (pH 8-9.5) 2.40 2.87 -8.21 1 4 0 49 316.373 5

Activity (Go SEA)

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