UCSF

ZINC05856177

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 23 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) 4.04 9.64 -33.48 1 3 1 23 312.433 4
Mid Mid (pH 6-8) 4.04 7.51 -5.97 0 3 0 22 311.425 4

Activity (Go SEA)

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