UCSF

ZINC34690112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 No

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) 4.82 9.59 -54.01 0 8 -1 111 489.891 6
Lo Low (pH 4.5-6) 4.36 12.03 -16.97 1 8 0 107 490.899 6

Activity (Go SEA)

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