UCSF

ZINC41720164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 3.22 5.57 -27.71 4 3 1 52 236.298 2
Hi High (pH 8-9.5) 3.22 5.14 -7.36 3 3 0 51 235.29 2

Activity (Go SEA)

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