UCSF

ZINC19864470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.96 4.22 -41.51 3 4 1 59 257.313 4
Hi High (pH 8-9.5) 1.96 2.65 -11.09 2 4 0 54 256.305 4

Activity (Go SEA)

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