UCSF

ZINC42579960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.70 7.59 -124.41 4 2 2 32 248.414 6
Hi High (pH 8-9.5) 2.70 8.15 -26.97 3 2 1 30 247.406 6
Hi High (pH 8-9.5) 2.70 6.14 -43.08 3 2 1 31 247.406 6

Activity (Go SEA)

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