UCSF

ZINC41679035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) 2.43 6.16 -28.6 2 3 0 57 278.171 4
Hi High (pH 8-9.5) 2.43 5.19 -41.19 1 3 -1 52 277.163 4

Activity (Go SEA)

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