UCSF

ZINC20134952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 1.93 4.06 -10.42 2 5 0 59 275.352 5
Hi High (pH 8-9.5) 1.93 4.8 -50.54 1 5 -1 62 274.344 5
Lo Low (pH 4.5-6) 1.93 4.16 -34.42 3 5 1 61 276.36 5

Activity (Go SEA)

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