UCSF

ZINC25006664

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 22 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) 2.78 4.23 -33.6 1 4 -1 65 309.267 4
Lo Low (pH 4.5-6) 2.32 5.29 -9.96 2 4 0 62 310.275 4

Activity (Go SEA)

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