UCSF

ZINC42742034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.14 3.34 -48.3 3 4 1 49 239.387 5
Hi High (pH 8-9.5) 1.14 4.54 -31.13 3 4 1 48 239.387 5
Lo Low (pH 4.5-6) 1.14 4.83 -121.18 4 4 2 50 240.395 5

Activity (Go SEA)

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