UCSF

ZINC21799856

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 1.51 6.91 -53.49 2 3 1 53 242.277 4
Mid Mid (pH 6-8) 1.51 5.48 -7.56 1 3 0 49 241.269 4

Activity (Go SEA)

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