UCSF

ZINC13804838

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 25 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) 5.49 10.27 -11.39 1 4 0 50 367.861 2
Ref Reference (pH 7) 5.49 10.51 -10.3 1 4 0 50 367.861 2
Ref Reference (pH 7) 5.00 10.04 -44.19 0 4 -1 49 366.853 3
Hi High (pH 8-9.5) 5.95 8.5 -50.19 0 4 -1 53 366.853 2
Hi High (pH 8-9.5) 5.95 8.22 -53.67 0 4 -1 53 366.853 2

Activity (Go SEA)

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