UCSF

ZINC00804504

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 15 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) 2.55 -0.75 -44.33 2 2 1 29 205.325 4
Lo Low (pH 4.5-6) 2.55 -0.64 -105.64 3 2 2 30 206.333 4

Activity (Go SEA)

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