UCSF

ZINC51401103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.73 9.53 -57.91 2 4 1 57 312.368 6
Mid Mid (pH 6-8) 2.73 7.2 -11.57 1 4 0 56 311.36 6

Activity (Go SEA)

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