UCSF

ZINC42947004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 2.62 6.31 -129.86 5 4 2 61 313.873 7
Mid Mid (pH 6-8) 2.62 4.93 -54.47 4 4 1 60 312.865 7
Mid Mid (pH 6-8) 2.62 6 -41.14 4 4 1 60 312.865 7

Activity (Go SEA)

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