UCSF

ZINC36169263

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) 3.23 8.35 -114.42 4 2 2 32 274.452 3
Hi High (pH 8-9.5) 3.23 8.06 -28.26 3 2 1 30 273.444 3

Activity (Go SEA)

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