UCSF

ZINC37110499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.54 6.81 -37.79 1 5 0 62 225.292 4
Hi High (pH 8-9.5) 1.54 6.69 -50.72 0 5 -1 61 224.284 4

Activity (Go SEA)

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