UCSF

ZINC57934986

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 3.17 8.5 -14.11 2 6 0 76 368.462 7
Lo Low (pH 4.5-6) 3.17 8.97 -36.1 3 6 1 77 369.47 7

Activity (Go SEA)

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