UCSF

ZINC34527490

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 No

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) 0.39 0.41 -23.28 2 10 0 121 464.544 10
Hi High (pH 8-9.5) 0.39 1.63 -62.8 1 10 -1 124 463.536 10
Hi High (pH 8-9.5) 0.58 -0.41 -60.88 1 10 -1 128 463.536 10
Mid Mid (pH 6-8) 0.39 2.69 -73.77 3 10 1 123 465.552 10

Activity (Go SEA)

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