UCSF

ZINC20517822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 25 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) 2.08 6.51 -27.75 1 6 0 74 340.379 3
Hi High (pH 8-9.5) 2.08 4.17 -45.72 0 6 -1 73 339.371 3
Hi High (pH 8-9.5) 2.08 6.53 -55.16 1 6 0 74 340.379 3
Mid Mid (pH 6-8) 2.08 5.85 -44.83 2 6 1 71 341.387 3
Mid Mid (pH 6-8) 2.08 3.4 -10.01 1 6 0 70 340.379 3
Lo Low (pH 4.5-6) 2.08 5.72 -41.12 2 6 1 71 341.387 3

Activity (Go SEA)

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