UCSF

ZINC29806667

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 27 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) 3.50 7.65 -12.22 1 5 0 66 388.464 8
Mid Mid (pH 6-8) 3.50 8.16 -42.36 0 5 -1 69 387.456 8

Activity (Go SEA)

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