UCSF

ZINC34537611

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) -1.10 3.47 -99.31 8 7 2 131 364.49 11
Mid Mid (pH 6-8) -1.10 3.14 -57.54 7 7 1 129 363.482 11

Activity (Go SEA)

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