UCSF

ZINC25523437

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 4.06 9.44 -18.58 2 6 0 80 437.425 7
Lo Low (pH 4.5-6) 4.06 9.78 -41.78 3 6 1 81 438.433 7

Activity (Go SEA)

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