UCSF

ZINC16737315

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 6.09 14.47 -14.65 0 6 0 73 454.526 7
Lo Low (pH 4.5-6) 6.09 14.74 -31.86 1 6 1 74 455.534 7

Activity (Go SEA)

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