UCSF

ZINC04384658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.33 7.86 -47.92 3 8 1 90 402.471 6
Mid Mid (pH 6-8) 3.33 5.83 -10.47 2 8 0 89 401.463 6

Activity (Go SEA)

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