UCSF

ZINC45147314

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 15 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) -0.08 6.56 -125.52 3 4 2 39 212.341 7
Hi High (pH 8-9.5) -0.08 2.87 -6.19 1 4 0 33 210.325 7
Hi High (pH 8-9.5) -0.08 4.24 -43.66 2 4 1 38 211.333 7
Mid Mid (pH 6-8) -0.08 4.71 -78.79 3 4 2 39 212.341 7
Lo Low (pH 4.5-6) -0.08 7.02 -185.74 4 4 3 40 213.349 7

Activity (Go SEA)

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