UCSF

ZINC40184338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.36 12.33 -18.67 1 6 0 69 442.563 10
Mid Mid (pH 6-8) 4.36 12.63 -43.14 2 6 1 70 443.571 10

Activity (Go SEA)

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