UCSF

ZINC32205945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 2.84 8.03 -38.81 2 4 1 35 307.458 9
Mid Mid (pH 6-8) 2.84 6.98 -48.15 2 4 1 38 307.458 9

Activity (Go SEA)

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