UCSF

ZINC37052168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 No

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) -1.17 4.63 -14.42 2 7 0 105 284.275 3
Lo Low (pH 4.5-6) -1.17 4.93 -54.13 3 7 1 107 285.283 3
Lo Low (pH 4.5-6) -1.17 5.11 -43.83 3 7 1 106 285.283 3

Activity (Go SEA)

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