UCSF

ZINC34681839

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 2.46 10.09 -47.93 2 6 1 63 368.505 5
Mid Mid (pH 6-8) 2.46 10.42 -104.94 3 6 2 64 369.513 5

Activity (Go SEA)

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