UCSF

ZINC35111614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 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) 1.65 1.75 -7.97 3 4 0 62 273.332 6
Mid Mid (pH 6-8) 1.65 3.13 -50.79 4 4 1 66 274.34 6

Activity (Go SEA)

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