UCSF

ZINC34527832

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) -1.07 -0.69 -95.75 7 5 2 69 257.426 0
Hi High (pH 8-9.5) -1.07 -1.85 -31.41 6 5 1 65 256.418 0
Mid Mid (pH 6-8) -1.07 -0.49 -89.23 7 5 2 69 257.426 0
Mid Mid (pH 6-8) -1.07 -1.88 -101.14 7 5 2 69 257.426 0
Lo Low (pH 4.5-6) -1.07 0.68 -198.7 8 5 3 74 258.434 0
Lo Low (pH 4.5-6) -1.07 0.38 -215.97 8 5 3 74 258.434 0

Activity (Go SEA)

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