UCSF

ZINC34561279

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) 0.35 2.78 -65.85 3 5 1 87 268.362 7
Mid Mid (pH 6-8) 0.35 1.43 -14.66 2 5 0 82 267.354 7

Activity (Go SEA)

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