UCSF

ZINC37052414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -1.51 2.58 -21.5 3 6 0 99 337.177 4
Lo Low (pH 4.5-6) -1.51 2.89 -51.6 4 6 1 101 338.185 4

Activity (Go SEA)

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