UCSF

ZINC16576802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 18 No

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) 2.90 6.47 -8.76 2 3 0 52 263.41 1
Lo Low (pH 4.5-6) 2.90 6.59 -28.36 3 3 1 53 264.418 1

Activity (Go SEA)

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