UCSF

ZINC48961600

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 No

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) 0.04 3.98 -16.16 1 5 0 50 300.453 4
Mid Mid (pH 6-8) 0.04 6.35 -47.27 2 5 1 51 301.461 4

Activity (Go SEA)

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