UCSF

ZINC42734026

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 24 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) 1.67 6.53 -51.21 2 6 -1 98 331.323 4
Lo Low (pH 4.5-6) 1.67 4.91 -16.22 3 6 0 95 332.331 4

Activity (Go SEA)

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