UCSF

ZINC05448751

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 28 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) 2.54 8.93 -64.92 0 5 -1 73 369.4 5
Mid Mid (pH 6-8) 2.99 -0.2 -18.84 1 5 0 70 370.408 4
Lo Low (pH 4.5-6) 1.96 -0.44 -11.22 0 5 0 67 370.408 5
Lo Low (pH 4.5-6) 2.99 -0.08 -47.8 2 5 1 71 371.416 4

Activity (Go SEA)

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