UCSF

ZINC14259403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 21 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) 3.21 5.31 -8.35 3 3 0 55 306.768 5
Mid Mid (pH 6-8) 3.21 6.13 -47.23 4 3 1 60 307.776 5

Activity (Go SEA)

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