UCSF

ZINC00651576

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 25 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) 4.69 -0.83 -9.74 3 4 0 68 385.798 3
Lo Low (pH 4.5-6) 4.69 -0.77 -39.84 4 4 1 69 386.806 3

Activity (Go SEA)

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