UCSF

ZINC23280275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 3.18 5.89 -5.82 1 2 0 23 275.779 5
Lo Low (pH 4.5-6) 3.18 8.35 -33.71 2 2 1 25 276.787 5

Activity (Go SEA)

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