UCSF

ZINC57625942

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 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) 4.11 9.27 -33.19 1 1 1 4 224.393 4
Hi High (pH 8-9.5) 4.11 7.78 -2.11 0 1 0 3 223.385 4

Activity (Go SEA)

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