UCSF

ZINC37840867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.10 -0.31 -47.1 4 8 1 114 316.407 4
Hi High (pH 8-9.5) -1.10 -2.04 -13.83 3 8 0 112 315.399 4

Activity (Go SEA)

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