UCSF

ZINC42580519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 3.12 7.55 -115.3 4 2 2 32 274.452 5
Hi High (pH 8-9.5) 3.12 7.24 -27.71 3 2 1 30 273.444 5
Hi High (pH 8-9.5) 3.12 6.33 -43.03 3 2 1 31 273.444 5

Activity (Go SEA)

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