UCSF

ZINC34939483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 2.74 5.09 -6.57 1 2 0 36 257.106 3
Lo Low (pH 4.5-6) 2.74 6.18 -53.33 2 2 1 40 258.114 3

Activity (Go SEA)

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