UCSF

ZINC54111254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 19 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) 3.73 7.01 -34.64 2 3 1 26 395.159 7
Hi High (pH 8-9.5) 3.73 4.73 -2.74 1 3 0 24 394.151 7
Mid Mid (pH 6-8) 3.73 8.39 -117.42 3 3 2 30 396.167 7
Mid Mid (pH 6-8) 3.73 6.12 -41.63 2 3 1 29 395.159 7

Activity (Go SEA)

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