UCSF

ZINC37873871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) -1.00 -1.02 -126.8 4 5 2 75 238.353 5
Mid Mid (pH 6-8) -1.00 -0.45 -59.93 3 5 1 78 237.345 5
Mid Mid (pH 6-8) -1.00 -2.16 -48.25 3 5 1 71 237.345 5

Activity (Go SEA)

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