UCSF

ZINC42681099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 18 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) 2.40 7.11 -33.74 1 3 1 27 289.852 8
Hi High (pH 8-9.5) 2.40 4.96 -5.35 0 3 0 25 288.844 8

Activity (Go SEA)

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