UCSF

ZINC39066221

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 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) 5.20 2.94 -13.27 5 7 0 127 440.492 6
Hi High (pH 8-9.5) 5.20 2.2 -53.4 4 7 -1 130 439.484 6
Hi High (pH 8-9.5) 5.20 4.05 -55.7 4 7 -1 130 439.484 6
Hi High (pH 8-9.5) 5.20 3.81 -56.65 4 7 -1 130 439.484 6

Activity (Go SEA)

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