UCSF

ZINC61441676

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 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) 0.27 5.33 -47.69 2 6 1 57 289.359 2
Mid Mid (pH 6-8) 0.27 2.98 -12.91 1 6 0 56 288.351 2

Activity (Go SEA)

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