UCSF

ZINC13123087

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 4.04 6.21 -9.21 2 4 0 57 343.667 2
Hi High (pH 8-9.5) 5.23 5.12 -41.13 1 4 -1 64 342.659 2
Hi High (pH 8-9.5) 5.23 3.86 -35.91 1 4 -1 64 342.659 2

Activity (Go SEA)

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