UCSF

ZINC00701169

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 3.93 8.49 -12.48 1 5 0 54 475.536 10
Mid Mid (pH 6-8) 3.93 10.71 -53.83 2 5 1 56 476.544 10

Activity (Go SEA)

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