UCSF

ZINC20073824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 2.50 5.84 -96.31 4 3 2 35 241.423 4
Hi High (pH 8-9.5) 2.50 3.53 -38.49 3 3 1 34 240.415 4
Mid Mid (pH 6-8) 2.50 5.32 -122 4 3 2 35 241.423 4

Activity (Go SEA)

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