UCSF

ZINC35877013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 37 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) 4.89 10.83 -30.64 3 6 1 80 513.017 2
Mid Mid (pH 6-8) 4.89 8.59 -9.96 2 6 0 79 512.009 2

Activity (Go SEA)

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