UCSF

ZINC19399055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 3.19 5.42 -50.09 3 2 1 31 318.304 3
Lo Low (pH 4.5-6) 3.19 7.05 -134.71 4 2 2 32 319.312 3

Activity (Go SEA)

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