UCSF

ZINC71505937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 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) 1.62 3.59 -37.81 3 2 1 37 192.282 1
Hi High (pH 8-9.5) 1.62 2.18 -3.85 2 2 0 32 191.274 1

Activity (Go SEA)

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