UCSF

ZINC37852236

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.86 -1.17 -45.73 3 6 1 68 277.385 11
Hi High (pH 8-9.5) -0.86 -2.53 -7.76 2 6 0 63 276.377 11
Lo Low (pH 4.5-6) -0.86 -0.27 -39.78 3 6 1 64 277.385 11

Activity (Go SEA)

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