UCSF

ZINC26927081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 30 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) 1.52 9.06 -56.09 2 7 1 76 412.51 8
Hi High (pH 8-9.5) 1.52 6.99 -20.61 1 7 0 75 411.502 8

Activity (Go SEA)

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