UCSF

ZINC34548395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 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) 5.87 10.56 -7.01 2 5 0 62 460.618 8
Mid Mid (pH 6-8) 5.87 12.87 -48.92 3 5 1 63 461.626 8

Activity (Go SEA)

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