UCSF

ZINC33709473

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 4.65 10.35 -23.55 1 7 0 84 430.574 10
Hi High (pH 8-9.5) 4.84 9.29 -52.38 0 7 -1 91 429.566 10

Activity (Go SEA)

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