UCSF

ZINC20518751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 27 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) 2.96 7.8 -27.93 1 5 0 61 368.408 3
Hi High (pH 8-9.5) 2.96 5.46 -39.62 0 5 -1 60 367.4 3
Hi High (pH 8-9.5) 2.96 7.85 -51.37 1 5 0 61 368.408 3
Mid Mid (pH 6-8) 2.96 7.13 -45.84 2 5 1 58 369.416 3
Mid Mid (pH 6-8) 2.96 4.71 -7.35 1 5 0 57 368.408 3
Lo Low (pH 4.5-6) 2.96 7 -45.25 2 5 1 58 369.416 3

Activity (Go SEA)

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