UCSF

ZINC34941021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.25 12.96 -72.67 1 7 0 83 498.595 12
Lo Low (pH 4.5-6) 4.25 12.22 -56.2 2 7 1 81 499.603 12

Activity (Go SEA)

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