UCSF

ZINC13119563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 2.60 4.06 -2.86 1 3 0 33 293.451 3
Mid Mid (pH 6-8) 2.60 6.61 -42.02 2 3 1 34 294.459 3

Activity (Go SEA)

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