UCSF

ZINC20622235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 22 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) 2.50 7.59 -58.75 3 6 1 75 322.82 7
Hi High (pH 8-9.5) 2.96 7.48 -58.89 2 6 0 78 321.812 7

Activity (Go SEA)

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