UCSF

ZINC05573477

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 26 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) 3.67 9.76 -13.03 2 6 0 69 378.494 8
Hi High (pH 8-9.5) 2.92 8.78 -37.61 1 6 -1 75 377.486 7

Activity (Go SEA)

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