UCSF

ZINC34874820

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 14 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) 2.11 7.13 -9.68 1 3 0 31 198.286 4
Mid Mid (pH 6-8) 2.11 4.35 -6.61 0 3 0 30 197.278 4

Activity (Go SEA)

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