UCSF

ZINC33893030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 30 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) 0.50 10.14 -47.83 1 6 -1 90 401.442 5
Mid Mid (pH 6-8) 0.50 10.97 -36.73 2 6 0 94 402.45 5

Activity (Go SEA)

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