UCSF

ZINC41127726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 26 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) 6.72 12.22 -30.2 2 4 1 52 349.454 8
Hi High (pH 8-9.5) 6.46 12.28 -29.01 2 4 1 56 349.454 7
Hi High (pH 8-9.5) 6.72 11.84 -9.93 1 4 0 51 348.446 8

Activity (Go SEA)

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