UCSF

ZINC37834054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 1.08 5.6 -38.11 1 4 1 28 276.832 5
Lo Low (pH 4.5-6) 1.08 8.08 -102.23 2 4 2 29 277.84 5
Lo Low (pH 4.5-6) 1.08 5.68 -38.16 1 4 1 28 276.832 5

Activity (Go SEA)

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