UCSF

ZINC05607178

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 26 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) 4.47 7.69 -12.88 3 5 0 81 382.514 4
Lo Low (pH 4.5-6) 4.47 7.94 -39.92 4 5 1 82 383.522 4

Activity (Go SEA)

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