UCSF

ZINC49808091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 13 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) 1.04 0.38 -42.13 3 3 1 46 180.227 2
Hi High (pH 8-9.5) 1.04 -1.32 -5.93 2 3 0 41 179.219 2

Activity (Go SEA)

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