UCSF

ZINC36286434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 0.36 0.43 -57.81 4 6 1 100 273.334 6
Hi High (pH 8-9.5) 0.36 0.04 -13.38 3 6 0 98 272.326 6

Activity (Go SEA)

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