UCSF

ZINC32011779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 2.52 4.83 -36.29 3 2 1 37 208.325 5
Hi High (pH 8-9.5) 2.52 3.67 -3.28 2 2 0 32 207.317 5

Activity (Go SEA)

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