UCSF

ZINC39898613

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 5.77 10.48 -9.91 2 5 0 69 441.984 7
Mid Mid (pH 6-8) 5.77 11.25 -45.32 1 5 -1 72 440.976 7

Activity (Go SEA)

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