UCSF

ZINC05706631

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 18 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) -4.61 -2.99 -78.55 5 8 0 137 259.262 4
Mid Mid (pH 6-8) -4.61 -3.4 -57.87 4 8 -1 136 258.254 4

Activity (Go SEA)

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