UCSF

ZINC44444383

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2010 17 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) 2.38 4.16 -40.67 0 3 -1 48 264.248 4
Mid Mid (pH 6-8) 2.38 4.12 -8.87 1 3 0 46 265.256 4

Activity (Go SEA)

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