UCSF

ZINC37840362

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) -0.60 -2.74 -22.38 2 8 0 116 335.407 4
Hi High (pH 8-9.5) -0.15 -4.79 -58.96 1 8 -1 119 334.399 4

Activity (Go SEA)

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