UCSF

ZINC44682580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.38 -0.1 -10.14 5 5 0 90 237.303 6
Lo Low (pH 4.5-6) 1.38 -0.23 -43.74 6 5 1 92 238.311 6

Activity (Go SEA)

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