UCSF

ZINC34920383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 3.78 12.41 -77.37 1 8 0 93 508.615 14
Lo Low (pH 4.5-6) 3.78 11.66 -54.23 2 8 1 90 509.623 14

Activity (Go SEA)

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