UCSF

ZINC19478422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.92 3.23 -48.16 3 4 1 49 263.361 3
Lo Low (pH 4.5-6) 0.92 5.53 -115.75 4 4 2 51 264.369 3

Activity (Go SEA)

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