UCSF

ZINC35077119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.21 2.93 -34.83 3 3 1 50 209.313 6
Hi High (pH 8-9.5) 1.21 1.97 -5.01 2 3 0 45 208.305 6

Activity (Go SEA)

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