UCSF

ZINC00229440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 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) 4.34 11.09 -21.66 1 2 1 17 255.385 1
Hi High (pH 8-9.5) 4.34 10.65 -6.89 0 2 0 16 254.377 1

Activity (Go SEA)

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