UCSF

ZINC13305252

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 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) 2.75 3.94 -6.71 1 4 0 42 293.407 5
Mid Mid (pH 6-8) 2.75 6.23 -40.25 2 4 1 43 294.415 5

Activity (Go SEA)

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