UCSF

ZINC32220697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 15 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) 2.78 6.86 -57.14 0 3 -1 53 220.635 1
Lo Low (pH 4.5-6) 2.78 7.15 -38.55 1 3 0 54 221.643 1

Activity (Go SEA)

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