UCSF

ZINC37468218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.86 9.76 -109.11 3 2 2 21 248.414 6
Hi High (pH 8-9.5) 2.86 8.92 -37.84 2 2 1 16 247.406 6
Mid Mid (pH 6-8) 2.86 7.71 -29.63 2 2 1 20 247.406 6

Activity (Go SEA)

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