UCSF

ZINC40118954

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 20 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) 2.86 7.51 -10.58 1 6 0 88 291.332 4
Hi High (pH 8-9.5) 2.93 6.08 -37.89 0 6 -1 94 290.324 4

Activity (Go SEA)

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