UCSF

ZINC44703817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) -0.84 1.09 -14.24 1 7 0 70 279.344 4
Mid Mid (pH 6-8) -0.84 3.23 -47.31 2 7 1 72 280.352 4

Activity (Go SEA)

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