UCSF

ZINC34610216

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 1.08 2.41 -6.81 1 4 0 52 221.256 3
Lo Low (pH 4.5-6) 1.08 2.82 -34.51 2 4 1 53 222.264 3

Activity (Go SEA)

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