UCSF

ZINC20916877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 0.05 6.49 -19.09 1 6 0 73 321.402 3
Lo Low (pH 4.5-6) 0.05 6.91 -48.13 2 6 1 74 322.41 3

Activity (Go SEA)

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