UCSF

ZINC44850970

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 30 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) 4.48 13.27 -10.36 1 5 0 48 404.489 4
Mid Mid (pH 6-8) 4.48 12.89 -42.39 2 5 1 50 405.497 4

Activity (Go SEA)

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