UCSF

ZINC08125578

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 23 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) 2.27 5.55 -14.56 2 6 0 99 304.309 3
Hi High (pH 8-9.5) 2.73 3.75 -50.89 1 6 -1 102 303.301 3

Activity (Go SEA)

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