UCSF

ZINC17913409

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 33 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) 3.70 7.83 -80.16 2 7 0 91 471.554 9
Hi High (pH 8-9.5) 3.70 5.29 -51.98 1 7 -1 90 470.546 9
Mid Mid (pH 6-8) 3.70 7.71 -55.78 3 7 1 89 472.562 9

Activity (Go SEA)

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