UCSF

ZINC26300888

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 2.53 5.19 -13.7 1 4 0 51 290.266 4
Hi High (pH 8-9.5) 2.71 4.13 -37.99 0 4 -1 58 289.258 4

Activity (Go SEA)

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