UCSF

ZINC62038801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 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) 4.57 8.4 -13.53 2 6 0 92 453.52 6
Hi High (pH 8-9.5) 4.57 9.2 -43.65 1 6 -1 95 452.512 6

Activity (Go SEA)

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