UCSF

ZINC32231403

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) 3.95 8.95 -37.75 2 3 1 34 314.449 7
Mid Mid (pH 6-8) 3.95 6.81 -6.72 1 3 0 33 313.441 7

Activity (Go SEA)

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