UCSF

ZINC34687043

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 3.08 7.8 -13.35 0 6 0 51 416.543 7
Lo Low (pH 4.5-6) 3.08 10.08 -47.38 1 6 1 52 417.551 7

Activity (Go SEA)

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