UCSF

ZINC49647111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -0.97 0.75 -48.97 3 4 1 57 185.247 2
Hi High (pH 8-9.5) -0.97 0.44 -10.64 2 4 0 56 184.239 2

Activity (Go SEA)

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