UCSF

ZINC36890479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.42 5.39 -56.83 2 5 -1 81 285.254 3
Lo Low (pH 4.5-6) 2.42 3.42 -11.11 3 5 0 78 286.262 3

Activity (Go SEA)

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