UCSF

ZINC35188196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) 1.12 1.08 -40.46 4 4 1 66 217.333 9
Hi High (pH 8-9.5) 1.12 -0.16 -9.11 3 4 0 61 216.325 9

Activity (Go SEA)

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