UCSF

ZINC44726782

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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) 1.27 5.99 -47.04 3 5 1 55 288.371 3
Hi High (pH 8-9.5) 1.46 2.63 -42.27 2 5 0 61 287.363 3

Activity (Go SEA)

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