UCSF

ZINC44264183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) -0.22 3.37 -59.24 4 4 1 69 205.285 3
Hi High (pH 8-9.5) -0.22 2.7 -38.48 3 4 0 68 204.277 3
Hi High (pH 8-9.5) -0.22 3.08 -7.78 3 4 0 68 204.277 3
Lo Low (pH 4.5-6) -0.22 3.75 -117.28 5 4 2 70 206.293 3

Activity (Go SEA)

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