UCSF

ZINC36176561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.36 0.98 -49.92 3 4 1 63 284.133 3
Hi High (pH 8-9.5) 2.36 0.58 -7.59 2 4 0 61 283.125 3

Activity (Go SEA)

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