UCSF

ZINC14510325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 27 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) 8.94 15.89 -45.43 1 3 -1 60 383.637 23
Lo Low (pH 4.5-6) 8.94 13.92 -7.11 2 3 0 58 384.645 23

Activity (Go SEA)

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