UCSF

ZINC36153990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 2.27 5.2 -60.24 3 5 1 71 300.289 3
Hi High (pH 8-9.5) 2.27 4.8 -7.68 2 5 0 69 299.281 3

Activity (Go SEA)

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