UCSF

ZINC32002607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 3.59 8.91 -9.68 0 2 0 37 230.27 1
Lo Low (pH 4.5-6) 3.59 9.2 -36.16 1 2 1 38 231.278 1

Activity (Go SEA)

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