UCSF

ZINC26819711

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 21 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) 3.53 10.34 -43.81 1 3 1 17 285.411 7
Hi High (pH 8-9.5) 3.53 7.8 -4.84 0 3 0 16 284.403 7

Activity (Go SEA)

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