UCSF

ZINC34684729

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 2.45 10.13 -98.75 3 6 2 54 384.524 7
Mid Mid (pH 6-8) 2.45 7.9 -41.26 2 6 1 53 383.516 7

Activity (Go SEA)

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