UCSF

ZINC24959844

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 29 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) 2.87 7.96 -10.35 0 5 0 36 393.531 4
Lo Low (pH 4.5-6) 2.87 10.29 -51.34 1 5 1 37 394.539 4

Activity (Go SEA)

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