UCSF

ZINC34624188

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 No

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) 0.62 2.3 -14.85 1 4 0 64 180.159 3
Mid Mid (pH 6-8) 0.62 3.23 -46.86 0 4 -1 66 179.151 3

Activity (Go SEA)

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