UCSF

ZINC36457452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 16 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) 2.44 7.91 -105.24 3 2 2 21 220.36 4
Hi High (pH 8-9.5) 2.44 5.54 -38.08 2 2 1 20 219.352 4
Mid Mid (pH 6-8) 2.44 5.53 -30.02 2 2 1 16 219.352 4

Activity (Go SEA)

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