UCSF

ZINC42585347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.75 9.04 -49.27 0 3 -1 43 234.319 5
Mid Mid (pH 6-8) 3.75 9.3 -59.35 1 3 0 45 235.327 5

Activity (Go SEA)

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