UCSF

ZINC34668926

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.50 8.56 -11.8 1 5 0 48 424.545 6
Mid Mid (pH 6-8) 3.50 10.77 -51.16 2 5 1 50 425.553 6

Activity (Go SEA)

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