UCSF

ZINC35415533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 14 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) -0.03 3.73 -56.78 2 4 0 60 200.282 7
Mid Mid (pH 6-8) -0.03 6.19 -117.46 3 4 1 61 201.29 7

Activity (Go SEA)

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