UCSF

ZINC14741793

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 36 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) 5.45 12.22 -10.34 2 8 0 94 492.62 11
Lo Low (pH 4.5-6) 5.45 12.54 -35.3 3 8 1 96 493.628 11

Activity (Go SEA)

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