UCSF

ZINC44233493

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 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) -0.19 1.3 -52 4 2 1 48 204.652 3
Mid Mid (pH 6-8) -0.19 0.96 -6.49 3 2 0 46 203.644 3

Activity (Go SEA)

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