UCSF

ZINC35055437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 4.43 9.88 -44.9 2 1 1 17 301.262 5
Hi High (pH 8-9.5) 4.43 8.64 -2.66 1 1 0 12 300.254 5

Activity (Go SEA)

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