UCSF

ZINC20780383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 21 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) 2.40 7.22 -41.92 2 4 1 37 294.463 3
Lo Low (pH 4.5-6) 2.40 5.97 -55.1 2 4 1 40 294.463 3

Activity (Go SEA)

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