UCSF

ZINC14334392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2008 31 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) 3.81 11.35 -14.01 1 6 0 73 405.461 5
Lo Low (pH 4.5-6) 3.81 11.62 -45.67 2 6 1 74 406.469 5

Activity (Go SEA)

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