UCSF

ZINC59606120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 21 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) -1.14 4.54 -52.66 3 7 1 95 298.363 4
Hi High (pH 8-9.5) -1.14 4.21 -21.58 2 7 0 93 297.355 4

Activity (Go SEA)

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