UCSF

ZINC27552723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 32 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 6.44 -52.09 3 10 1 118 449.528 11
Hi High (pH 8-9.5) 2.40 6.44 -55.75 3 10 1 118 449.528 11
Hi High (pH 8-9.5) 2.40 4.22 -24.4 2 10 0 117 448.52 11
Lo Low (pH 4.5-6) 2.40 8.71 -131.29 4 10 2 120 450.536 11

Activity (Go SEA)

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