UCSF

ZINC43897431

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 1.80 5.93 -83.94 3 3 2 24 241.423 4
Hi High (pH 8-9.5) 1.80 5.51 -109.46 3 3 2 24 241.423 4
Hi High (pH 8-9.5) 1.80 4.87 -33.34 2 3 1 20 240.415 4

Activity (Go SEA)

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