UCSF

ZINC36137639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 Yes

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) -0.09 5.27 -68.15 2 5 0 74 228.292 7
Lo Low (pH 4.5-6) -0.09 3.29 -41.96 3 5 1 71 229.3 7

Activity (Go SEA)

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