UCSF

ZINC34625690

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 No

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) 2.91 4.08 -10.48 2 5 0 70 301.342 5
Hi High (pH 8-9.5) 2.91 4.8 -42.84 1 5 -1 73 300.334 5

Activity (Go SEA)

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