UCSF

ZINC05652617

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 20 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) 4.09 -3.66 -9.39 1 4 0 59 351.642 3
Hi High (pH 8-9.5) 4.09 -3.08 -39.06 0 4 -1 61 350.634 3

Activity (Go SEA)

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