UCSF

ZINC27969408

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 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) 2.55 5.41 -12.31 1 6 0 76 318.439 5
Hi High (pH 8-9.5) 2.55 5.14 -38.98 0 6 -1 78 317.431 5
Mid Mid (pH 6-8) 2.55 5.34 -40.95 2 6 1 80 319.447 5

Activity (Go SEA)

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