UCSF

ZINC59202285

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 27 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) 4.75 10.25 -10.21 1 5 0 71 384.863 7
Hi High (pH 8-9.5) 4.93 8.91 -37.71 0 5 -1 78 383.855 7

Activity (Go SEA)

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