UCSF

ZINC17197783

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 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) 4.61 5.53 -11.25 2 5 0 75 360.822 3
Ref Reference (pH 7) 4.61 5.86 -11.09 2 5 0 75 360.822 3
Ref Reference (pH 7) 4.12 5.43 -41.59 1 5 -1 74 359.814 4
Hi High (pH 8-9.5) 5.07 4.08 -45.57 1 5 -1 78 359.814 3
Hi High (pH 8-9.5) 5.07 3.53 -48.11 1 5 -1 78 359.814 3

Activity (Go SEA)

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