UCSF

ZINC36273194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 4.45 10.98 -38.31 3 5 1 57 365.501 8
Hi High (pH 8-9.5) 4.45 9.92 -9.82 2 5 0 56 364.493 8
Mid Mid (pH 6-8) 4.45 8.24 -26.62 3 5 1 57 365.501 8
Mid Mid (pH 6-8) 4.45 11.23 -86.49 4 5 2 58 366.509 8

Activity (Go SEA)

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