UCSF

ZINC19354821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 34 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) 5.15 8.76 -12.13 0 6 0 62 472.614 6
Lo Low (pH 4.5-6) 5.15 11.05 -53.08 1 6 1 64 473.622 6

Activity (Go SEA)

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