UCSF

ZINC42436209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) -2.28 -0.41 -45.26 4 7 1 104 238.271 6
Hi High (pH 8-9.5) -2.28 -0.73 -9.76 3 7 0 103 237.263 6
Lo Low (pH 4.5-6) -2.28 0.14 -116.97 5 7 2 106 239.279 6

Activity (Go SEA)

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