UCSF

ZINC35609542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 0.75 -1.38 -11.28 3 6 0 87 313.423 4
Lo Low (pH 4.5-6) 0.75 0.92 -43.17 4 6 1 88 314.431 4

Activity (Go SEA)

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