UCSF

ZINC00698864

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.66 10.64 -15.65 0 6 0 57 435.568 5
Mid Mid (pH 6-8) 2.66 12.89 -57.67 1 6 1 58 436.576 5

Activity (Go SEA)

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