UCSF

ZINC32250654

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.93 7.08 -8.41 2 4 0 56 338.451 6
Mid Mid (pH 6-8) 2.93 7.62 -36.17 3 4 1 57 339.459 6

Activity (Go SEA)

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