UCSF

ZINC37005189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 1.16 0.95 -43.76 4 4 1 66 209.269 4
Hi High (pH 8-9.5) 1.16 -0.48 -9.64 3 4 0 61 208.261 4

Activity (Go SEA)

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