UCSF

ZINC26533542

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 27 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) 6.93 13.7 -12.15 0 3 0 27 421.338 6
Lo Low (pH 4.5-6) 6.93 14.1 -29.84 1 3 1 28 422.346 6

Activity (Go SEA)

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