UCSF

ZINC43800199

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 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) -2.74 3.06 -86.67 3 6 0 95 242.275 4
Hi High (pH 8-9.5) -2.74 1.7 -59.49 2 6 -1 90 241.267 4

Activity (Go SEA)

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