UCSF

ZINC29545527

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 28 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) 4.01 9.98 -35.13 2 7 1 87 414.536 6
Hi High (pH 8-9.5) 4.01 9.75 -38.49 1 7 0 89 413.528 6
Hi High (pH 8-9.5) 4.01 8.99 -12.39 1 7 0 86 413.528 6
Hi High (pH 8-9.5) 4.01 8.55 -34.78 0 7 -1 88 412.52 6

Activity (Go SEA)

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