UCSF

ZINC37797984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.43 0.61 -39.05 5 6 1 100 266.321 7
Hi High (pH 8-9.5) 0.43 0.25 -14.31 4 6 0 99 265.313 7

Activity (Go SEA)

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