UCSF

ZINC42244438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.73 6.98 -33.4 2 3 1 28 291.459 6
Mid Mid (pH 6-8) 2.73 4.7 -3.57 1 3 0 27 290.451 6

Activity (Go SEA)

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