UCSF

ZINC37110299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.86 3.54 -39.67 3 3 1 48 187.307 4
Hi High (pH 8-9.5) 0.86 3.11 -6.03 2 3 0 46 186.299 4

Activity (Go SEA)

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