UCSF

ZINC33584066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 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) 5.64 13 -58.77 0 4 -1 62 394.397 4
Mid Mid (pH 6-8) 5.64 12.98 -41.58 1 4 0 63 395.405 4

Activity (Go SEA)

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