UCSF

ZINC25768693

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 28 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) 4.30 7.68 -23.16 2 6 0 88 433.942 5
Mid Mid (pH 6-8) 4.30 7.75 -46.08 1 6 -1 90 432.934 5

Activity (Go SEA)

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