UCSF

ZINC16741283

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) 5.06 13.74 -15.4 0 7 0 90 454.482 4
Lo Low (pH 4.5-6) 5.06 14.01 -35.42 1 7 1 91 455.49 4

Activity (Go SEA)

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