UCSF

ZINC44122313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 15 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) 1.72 4.86 -38.49 2 3 1 38 206.265 3
Hi High (pH 8-9.5) 1.72 2.34 -5.83 1 3 0 37 205.257 3

Activity (Go SEA)

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