UCSF

ZINC36235855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 2.18 3.13 -50.11 4 5 1 75 287.339 3
Hi High (pH 8-9.5) 2.18 2.67 -58.06 2 5 -1 73 285.323 3
Hi High (pH 8-9.5) 2.18 1.67 -12.74 3 5 0 71 286.331 3
Hi High (pH 8-9.5) 2.18 4.14 -74.54 3 5 0 78 286.331 3

Activity (Go SEA)

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