UCSF

ZINC35679556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 14 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) -0.92 2.79 -97.09 4 4 2 52 199.298 1
Hi High (pH 8-9.5) -0.92 2.5 -36.17 3 4 1 51 198.29 1

Activity (Go SEA)

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