UCSF

ZINC35148594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.27 7.88 -58.34 1 5 -1 86 290.339 6
Lo Low (pH 4.5-6) 2.27 5.96 -14.32 2 5 0 83 291.347 6

Activity (Go SEA)

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