UCSF

ZINC34977778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 No

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) -0.77 3.07 -39.87 4 6 1 76 222.272 1
Mid Mid (pH 6-8) -0.77 2.77 -12.79 3 6 0 74 221.264 1

Activity (Go SEA)

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