UCSF

ZINC39132847

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 0.75 4.87 -36.42 2 3 1 43 160.2 1
Mid Mid (pH 6-8) 0.75 4.42 -10.43 1 3 0 42 159.192 1
Mid Mid (pH 6-8) 0.75 4.41 -8.2 1 3 0 42 159.192 1

Activity (Go SEA)

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