UCSF

ZINC37098700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.43 6.46 -58.17 1 5 0 62 237.303 5
Hi High (pH 8-9.5) 1.43 6.33 -54.41 0 5 -1 61 236.295 5

Activity (Go SEA)

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