UCSF

ZINC08063909

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 29 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) 3.01 7.56 -14.64 2 7 0 91 392.459 5
Lo Low (pH 4.5-6) 3.01 7.91 -30.04 3 7 1 92 393.467 5
Lo Low (pH 4.5-6) 3.01 7.91 -31.02 3 7 1 92 393.467 5

Activity (Go SEA)

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