UCSF

ZINC02160349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 24 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) 5.22 6.79 -10.12 1 4 0 51 341.794 4
Hi High (pH 8-9.5) 5.22 7.58 -52.55 0 4 -1 54 340.786 4
Mid Mid (pH 6-8) 5.22 6.75 -45.05 0 4 -1 54 340.786 4
Lo Low (pH 4.5-6) 5.22 6.35 -36.22 2 4 1 53 342.802 4
Lo Low (pH 4.5-6) 5.22 7.24 -29.62 2 4 1 53 342.802 4

Activity (Go SEA)

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