UCSF

ZINC37039466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.64 6.7 -118.58 4 5 2 62 287.448 7
Hi High (pH 8-9.5) 1.64 6.31 -36.84 3 5 1 60 286.44 7
Mid Mid (pH 6-8) 1.64 5.48 -50.07 3 5 1 60 286.44 7

Activity (Go SEA)

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