UCSF

ZINC36376255

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 22 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) 4.14 6.46 -6.95 2 4 0 43 300.402 9
Lo Low (pH 4.5-6) 4.14 7.03 -46.51 3 4 1 47 301.41 9

Activity (Go SEA)

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