UCSF

ZINC36999031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.86 5.28 -91.29 4 4 2 50 241.379 4
Mid Mid (pH 6-8) 1.05 3.01 -36.46 3 4 1 56 240.371 4

Activity (Go SEA)

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