UCSF

ZINC33765476

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 2.72 7.72 -11.64 1 7 0 87 480.615 6
Hi High (pH 8-9.5) 2.90 5.77 -46.33 0 7 -1 94 479.607 6
Hi High (pH 8-9.5) 2.90 6.04 -48.16 0 7 -1 94 479.607 6
Lo Low (pH 4.5-6) 2.72 10.21 -55.17 2 7 1 89 481.623 6
Lo Low (pH 4.5-6) 2.72 9.99 -46.26 2 7 1 89 481.623 6

Activity (Go SEA)

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