UCSF

ZINC13123089

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 2.99 8.23 -56.8 0 4 -1 60 324.331 3
Lo Low (pH 4.5-6) 2.99 7.47 -13.03 1 4 0 58 325.339 3

Activity (Go SEA)

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