UCSF

ZINC37081403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.71 5.75 -9.87 1 3 0 41 241.29 2
Hi High (pH 8-9.5) 2.71 6.6 -55.78 0 3 -1 43 240.282 2

Activity (Go SEA)

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