UCSF

ZINC37040056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.46 -0.91 -56.05 5 6 1 103 222.224 2
Hi High (pH 8-9.5) -0.01 -3.86 -48.94 3 6 -1 104 220.208 2
Mid Mid (pH 6-8) -0.01 -3.61 -81.62 4 6 0 106 221.216 2

Activity (Go SEA)

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