UCSF

ZINC20898956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 No

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) 0.81 5.19 -8.4 3 7 0 88 346.412 3
Mid Mid (pH 6-8) 1.27 3.52 -50.93 2 7 -1 91 345.404 3

Activity (Go SEA)

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