UCSF

ZINC32114937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 17 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) 3.41 5.83 -48.55 3 2 1 41 267.805 3
Hi High (pH 8-9.5) 3.41 5.44 -5.22 2 2 0 39 266.797 3

Activity (Go SEA)

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