UCSF

ZINC40940388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 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) 1.74 6.63 -63.4 7 10 1 143 426.501 7
Lo Low (pH 4.5-6) 1.74 7.03 -111.78 8 10 2 145 427.509 7

Activity (Go SEA)

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