UCSF

ZINC12447521

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 38 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) 6.18 15.41 -12.21 0 5 0 59 498.582 4
Lo Low (pH 4.5-6) 6.18 15.73 -39.34 1 5 1 61 499.59 4

Activity (Go SEA)

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