UCSF

ZINC20873591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 5.51 13.05 -35.89 2 2 1 26 332.467 7
Hi High (pH 8-9.5) 5.51 11.8 -4.37 1 2 0 21 331.459 7

Activity (Go SEA)

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