UCSF

ZINC48649008

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 25 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) 0.52 2.17 -9.43 3 7 0 105 356.325 5
Hi High (pH 8-9.5) 0.71 1.34 -43.68 2 7 -1 111 355.317 5

Activity (Go SEA)

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