UCSF

ZINC62060081

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 25 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) 4.59 10.21 -10.3 1 5 0 65 402.299 7
Hi High (pH 8-9.5) 4.77 8.53 -42.89 0 5 -1 71 401.291 7

Activity (Go SEA)

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