UCSF

ZINC32130373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.50 8.68 -4.27 0 2 0 12 263.768 3
Lo Low (pH 4.5-6) 3.50 8.88 -27.81 1 2 1 14 264.776 3

Activity (Go SEA)

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