UCSF

ZINC36776888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.16 5.2 -12.51 1 4 0 53 276.723 3
Hi High (pH 8-9.5) 2.16 6.13 -53.87 0 4 -1 56 275.715 3
Lo Low (pH 4.5-6) 2.16 5.66 -40.34 2 4 1 55 277.731 3

Activity (Go SEA)

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