UCSF

ZINC36877579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.72 6.83 -45.74 4 3 1 56 278.807 4
Hi High (pH 8-9.5) 1.72 6.55 -5.23 3 3 0 55 277.799 4
Lo Low (pH 4.5-6) 1.72 6.9 -117.66 5 3 2 58 279.815 4

Activity (Go SEA)

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