UCSF

ZINC37299592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.56 4.39 -47 3 3 1 44 258.389 6
Hi High (pH 8-9.5) 1.57 6.89 -34.73 3 3 1 43 258.389 6
Mid Mid (pH 6-8) 1.56 5.07 -85.24 4 3 2 45 259.397 6

Activity (Go SEA)

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