UCSF

ZINC32008373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.63 4.2 -44.57 3 2 1 37 192.282 5
Hi High (pH 8-9.5) 1.63 2.79 -5.11 2 2 0 32 191.274 5

Activity (Go SEA)

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