UCSF

ZINC12081124

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 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) 4.34 8.59 -8.15 1 6 0 68 443.714 6
Hi High (pH 8-9.5) 4.53 7.07 -37.7 0 6 -1 74 442.706 6

Activity (Go SEA)

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