UCSF

ZINC34602593

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 4.18 5.26 -41.27 1 6 -1 90 416.269 3
Lo Low (pH 4.5-6) 4.18 5.65 -17.26 2 6 0 88 417.277 3

Activity (Go SEA)

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