UCSF

ZINC43897429

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 5.89 -83.2 3 3 2 24 241.423 4
Hi High (pH 8-9.5) 1.80 5.63 -108.81 3 3 2 24 241.423 4
Hi High (pH 8-9.5) 1.80 4.76 -31.91 2 3 1 20 240.415 4

Activity (Go SEA)

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