UCSF

ZINC34616885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 1.22 4.25 -12.64 4 7 0 98 376.453 14
Lo Low (pH 4.5-6) 1.22 4.12 -52.33 5 7 1 100 377.461 14

Activity (Go SEA)

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