UCSF

ZINC32209889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 3.12 7.83 -104.62 5 3 2 48 285.435 3
Hi High (pH 8-9.5) 3.12 5.38 -49.12 4 3 1 47 284.427 3

Activity (Go SEA)

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