UCSF

ZINC36667518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 0.58 4.72 -44.74 2 4 1 52 204.29 10
Hi High (pH 8-9.5) 0.58 3.37 -5.71 1 4 0 48 203.282 10

Activity (Go SEA)

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