UCSF

ZINC04889808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 28 No

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) 1.90 6.01 -46.77 2 8 1 99 391.444 7
Hi High (pH 8-9.5) 1.90 4.81 -11.77 1 8 0 94 390.436 7

Activity (Go SEA)

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