UCSF

ZINC27092082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 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) 2.70 3.08 -32.71 1 4 -1 65 275.25 5
Lo Low (pH 4.5-6) 2.24 4.14 -8.98 2 4 0 62 276.258 5

Activity (Go SEA)

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