UCSF

ZINC35102017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 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) 1.79 1.24 -37.72 4 4 1 66 229.344 5
Hi High (pH 8-9.5) 1.79 0 -7.75 3 4 0 61 228.336 5

Activity (Go SEA)

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