UCSF

ZINC16819064

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 29 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) 3.36 12.08 -13.19 0 5 0 55 393.462 3
Lo Low (pH 4.5-6) 3.36 12.23 -54.59 1 5 1 56 394.47 3

Activity (Go SEA)

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