UCSF

ZINC43264987

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 25 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) 4.31 10.5 -10.6 1 4 0 36 345.393 2
Mid Mid (pH 6-8) 4.31 10.36 -39.81 2 4 1 37 346.401 2

Activity (Go SEA)

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