UCSF

ZINC05331394

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 29 No

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) -3.50 6.88 -53.45 2 6 1 90 387.394 3
Lo Low (pH 4.5-6) -3.50 7.16 -107.12 3 6 2 91 388.402 3

Activity (Go SEA)

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