UCSF

ZINC60079729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 19 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) 3.19 9.18 -35.51 1 2 1 8 328.249 2
Hi High (pH 8-9.5) 3.19 7.29 -3.06 0 2 0 6 327.241 2
Mid Mid (pH 6-8) 3.19 8.86 -32.01 1 2 1 8 328.249 2
Lo Low (pH 4.5-6) 3.19 10.74 -105.39 2 2 2 9 329.257 2

Activity (Go SEA)

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