UCSF

ZINC06594988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.85 11.21 -14.11 0 5 0 60 354.45 10
Lo Low (pH 4.5-6) 3.85 11.67 -48.68 1 5 1 61 355.458 10

Activity (Go SEA)

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