UCSF

ZINC26958760

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.37 1.7 -10.26 1 6 0 62 319.471 6
Hi High (pH 8-9.5) 1.37 1.28 -44.52 0 6 -1 64 318.463 6
Mid Mid (pH 6-8) 1.37 3.79 -48.89 2 6 1 63 320.479 6

Activity (Go SEA)

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