UCSF

ZINC34668931

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.45 7.63 -9.76 1 5 0 48 402.539 5
Mid Mid (pH 6-8) 3.45 9.86 -46.11 2 5 1 50 403.547 5

Activity (Go SEA)

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