UCSF

ZINC55083289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 29 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) 1.05 10.38 -54.47 1 7 1 63 398.531 5
Mid Mid (pH 6-8) 1.05 8.19 -18.19 0 7 0 62 397.523 5

Activity (Go SEA)

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