UCSF

ZINC52275382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 2.28 2.92 -42.45 3 4 1 55 222.264 3
Hi High (pH 8-9.5) 2.28 3.58 -31.51 2 4 0 58 221.256 3

Activity (Go SEA)

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