UCSF

ZINC38689772

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 21 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) 2.55 8.75 -45.15 2 4 1 46 302.423 5
Hi High (pH 8-9.5) 2.55 6.29 -9.29 1 4 0 45 301.415 5
Hi High (pH 8-9.5) 2.73 7.3 -44.49 1 4 0 53 301.415 5

Activity (Go SEA)

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