UCSF

ZINC06557551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 21 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) 3.72 8.92 -24.11 1 4 0 50 299.761 1
Hi High (pH 8-9.5) 4.17 7.59 -53.75 0 4 -1 53 298.753 1

Activity (Go SEA)

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