UCSF

ZINC36839008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) -0.25 4.98 -34.94 3 6 0 102 275.308 6
Hi High (pH 8-9.5) -0.25 3.81 -57.77 2 6 -1 98 274.3 6

Activity (Go SEA)

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