UCSF

ZINC53706290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.11 5.93 -42.46 3 3 1 44 285.209 4
Hi High (pH 8-9.5) 2.11 5.54 -3.98 2 3 0 42 284.201 4

Activity (Go SEA)

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