UCSF

ZINC37843508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 2.49 4.53 -43.21 0 5 -1 75 308.738 7
Lo Low (pH 4.5-6) 2.49 4.47 -12.17 1 5 0 72 309.746 7

Activity (Go SEA)

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