UCSF

ZINC07780883

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 20 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) 2.99 8.42 -39.9 2 6 1 79 298.75 4
Mid Mid (pH 6-8) 2.80 7.76 -27.64 1 6 0 86 297.742 4

Activity (Go SEA)

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