UCSF

ZINC03988916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 28 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) 5.44 -3.39 -8.06 2 5 0 75 502.162 3
Lo Low (pH 4.5-6) 5.44 -3.29 -37.27 3 5 1 76 503.17 3

Activity (Go SEA)

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