UCSF

ZINC37826822

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.23 5.11 -93.33 4 5 2 62 275.437 10
Hi High (pH 8-9.5) 1.23 4.9 -36.65 3 5 1 60 274.429 10

Activity (Go SEA)

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