UCSF

ZINC36678768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) -0.08 3.49 -86.89 5 4 2 71 168.244 3
Mid Mid (pH 6-8) -0.08 3.02 -43.67 4 4 1 69 167.236 3

Activity (Go SEA)

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