UCSF

ZINC36747318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 1.19 2.79 -44.38 4 3 1 60 213.326 6
Hi High (pH 8-9.5) 1.19 1.44 -8.18 3 3 0 55 212.318 6

Activity (Go SEA)

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