UCSF

ZINC43708506

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 0.00 6.75 -53.69 3 7 1 86 308.749 3
Hi High (pH 8-9.5) 0.00 5.4 -14.7 2 7 0 81 307.741 3

Activity (Go SEA)

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