UCSF

ZINC70514907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.01 3.28 -28.81 3 4 1 49 281.42 10
Hi High (pH 8-9.5) 2.01 4 -3.25 2 4 0 45 280.412 10
Lo Low (pH 4.5-6) 2.01 3.85 -34.75 3 4 1 46 281.42 10
Lo Low (pH 4.5-6) 2.01 4.82 -109.92 4 4 2 51 282.428 10

Activity (Go SEA)

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