UCSF

ZINC00164073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 23 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) -0.71 4.24 -50.45 2 9 1 96 324.361 4
Mid Mid (pH 6-8) -0.71 4.72 -108.7 3 9 2 97 325.369 4

Activity (Go SEA)

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