UCSF

ZINC00701736

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 3.50 10.96 -18.49 0 7 0 66 514.598 9
Mid Mid (pH 6-8) 3.50 13.18 -65.22 1 7 1 67 515.606 9

Activity (Go SEA)

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