UCSF

ZINC04030100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 22 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) 2.84 -2.79 -14.23 2 4 0 57 358.239 5
Lo Low (pH 4.5-6) 2.84 -2.68 -41.48 3 4 1 59 359.247 5

Activity (Go SEA)

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