UCSF

ZINC32228112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.10 6.01 -6.05 1 4 0 34 312.413 7
Mid Mid (pH 6-8) 3.10 8.41 -38.78 2 4 1 35 313.421 7

Activity (Go SEA)

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