UCSF

ZINC00699475

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 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) 1.71 -3.64 -26.92 2 9 0 113 493.589 11
Lo Low (pH 4.5-6) 2.27 -3.5 -53.91 3 9 1 118 494.597 10

Activity (Go SEA)

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