UCSF

ZINC25155235

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 3.91 13.24 -61.13 2 6 1 61 441.555 8
Lo Low (pH 4.5-6) 3.91 13.63 -93.52 3 6 2 62 442.563 8

Activity (Go SEA)

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