UCSF

ZINC39124403

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 22 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) 1.64 2.86 -12.18 2 6 0 85 298.298 2
Hi High (pH 8-9.5) 1.18 3.9 -52.41 1 6 -1 87 297.29 2

Activity (Go SEA)

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