UCSF

ZINC04172690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 33 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) 5.99 14.13 -17.4 1 5 0 48 435.527 8
Mid Mid (pH 6-8) 5.99 14.56 -29.74 2 5 1 49 436.535 8

Activity (Go SEA)

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