UCSF

ZINC27641860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 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) 3.43 5.97 -53.49 3 5 -1 101 389.512 12
Lo Low (pH 4.5-6) 3.43 4.85 -14.79 4 5 0 98 390.52 12

Activity (Go SEA)

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