UCSF

ZINC34833301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 3.99 8.18 -9.23 1 7 0 72 421.545 7
Mid Mid (pH 6-8) 3.99 10.45 -44.51 2 7 1 73 422.553 7

Activity (Go SEA)

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