UCSF

ZINC41722661

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.62 6.18 -43.22 3 4 1 58 257.361 2
Hi High (pH 8-9.5) -0.62 5.87 -8.92 2 4 0 57 256.353 2

Activity (Go SEA)

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