UCSF

ZINC35738390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) -0.59 2.8 -93.45 4 4 2 54 199.298 1
Hi High (pH 8-9.5) -0.59 1.49 -36.92 3 4 1 49 198.29 1

Activity (Go SEA)

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