UCSF

ZINC25385208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 2.29 3.95 -23.47 3 7 0 83 402.539 8
Lo Low (pH 4.5-6) 2.29 6.31 -61.05 4 7 1 84 403.547 8

Activity (Go SEA)

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