UCSF

ZINC36200406

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.21 2.79 -43.87 2 5 1 63 198.246 4
Hi High (pH 8-9.5) -0.21 1.35 -9.3 1 5 0 58 197.238 4

Activity (Go SEA)

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