UCSF

ZINC28200519

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 29 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) 3.62 10.52 -15.48 1 5 0 60 402.885 6
Lo Low (pH 4.5-6) 3.62 10.96 -53.41 2 5 1 61 403.893 6

Activity (Go SEA)

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