UCSF

ZINC34558766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 1.03 9.67 -24.74 2 12 0 147 483.481 8
Mid Mid (pH 6-8) 1.49 7.84 -68.76 1 12 -1 150 482.473 8

Activity (Go SEA)

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