UCSF

ZINC42428840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 19 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) 2.54 5.05 -41.86 3 4 1 71 264.393 4
Hi High (pH 8-9.5) 2.54 3.38 -9.79 2 4 0 70 263.385 4

Activity (Go SEA)

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