UCSF

ZINC31855874

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 29 No

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) 4.80 8.85 -50.73 1 5 -1 82 403.311 5
Lo Low (pH 4.5-6) 4.80 9.13 -46.22 2 5 0 83 404.319 5

Activity (Go SEA)

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