UCSF

ZINC39952219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 1.01 5.81 -61.96 3 6 1 83 293.343 6
Hi High (pH 8-9.5) 1.01 5.55 -13.31 2 6 0 82 292.335 6

Activity (Go SEA)

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