UCSF

ZINC40900456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 5.10 13.02 -13.08 0 7 0 72 492.475 9
Lo Low (pH 4.5-6) 5.10 13.5 -45.01 1 7 1 73 493.483 9

Activity (Go SEA)

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