UCSF

ZINC05734931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 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) 1.45 4.14 -39.19 2 4 1 43 272.324 0
Mid Mid (pH 6-8) 1.45 1.42 -6.69 1 4 0 42 271.316 0

Activity (Go SEA)

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