UCSF

ZINC34876250

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 No

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) -1.86 -1.96 -124.91 4 14 -2 218 437.242 7
Mid Mid (pH 6-8) -1.86 -0.87 -243.82 3 14 -3 221 436.234 7

Activity (Go SEA)

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