UCSF

ZINC37871039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 1.09 5.34 -103.58 4 3 2 41 236.359 5
Hi High (pH 8-9.5) 1.09 4.01 -34.57 3 3 1 37 235.351 5
Mid Mid (pH 6-8) 1.09 2.76 -43.4 3 3 1 40 235.351 5

Activity (Go SEA)

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