UCSF

ZINC35838604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 2.62 7.74 -19.22 1 6 0 66 368.824 3
Lo Low (pH 4.5-6) 2.62 8.14 -48.08 2 6 1 67 369.832 3

Activity (Go SEA)

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