UCSF

ZINC12247454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.50 10.47 -16.61 0 7 0 70 460.53 9
Lo Low (pH 4.5-6) 3.50 10.76 -54.84 1 7 1 71 461.538 9

Activity (Go SEA)

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