UCSF

ZINC18127685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 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) 2.97 6.74 -12.23 1 4 0 63 274.345 4
Hi High (pH 8-9.5) 3.43 4.77 -46.32 0 4 -1 66 273.337 4
Mid Mid (pH 6-8) 2.97 6.16 -17.78 1 4 0 63 274.345 4

Activity (Go SEA)

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