UCSF

ZINC42200175

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 0.89 5.64 -43.48 1 4 1 38 299.192 2
Mid Mid (pH 6-8) 0.89 3.56 -6.12 0 4 0 36 298.184 2

Activity (Go SEA)

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