UCSF

ZINC36239700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.64 9.44 -50.71 2 6 1 57 424.956 3
Hi High (pH 8-9.5) 2.64 9.74 -16 1 6 0 53 423.948 3
Lo Low (pH 4.5-6) 2.64 10.05 -86.99 3 6 2 59 425.964 3

Activity (Go SEA)

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