UCSF

ZINC03538888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 21 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) 5.09 9.97 -36.3 2 3 1 34 330.279 3
Hi High (pH 8-9.5) 4.91 9.01 -28.09 1 3 0 40 329.271 3

Activity (Go SEA)

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