UCSF

ZINC13119700

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 2.25 6.4 -66.86 0 7 -1 92 384.408 8
Lo Low (pH 4.5-6) 2.25 5.64 -18.38 1 7 0 89 385.416 8

Activity (Go SEA)

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