UCSF

ZINC27640610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 4.05 4.55 -53.01 3 5 -1 101 357.511 14
Lo Low (pH 4.5-6) 4.05 3.43 -14.74 4 5 0 98 358.519 14

Activity (Go SEA)

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