UCSF

ZINC34602907

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 5.48 8.48 -49.28 2 5 0 70 429.332 4
Hi High (pH 8-9.5) 5.48 8.04 -45.37 1 5 -1 69 428.324 4

Activity (Go SEA)

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