UCSF

ZINC36680498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 29 No

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) 3.16 5.25 -24.42 1 10 0 132 398.375 8
Mid Mid (pH 6-8) 3.22 2.66 -53.55 0 10 -1 139 397.367 8

Activity (Go SEA)

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