UCSF

ZINC37041902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 2.44 4.31 -40.76 4 3 1 57 215.361 8
Hi High (pH 8-9.5) 2.44 4.01 -5.43 3 3 0 55 214.353 8

Activity (Go SEA)

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