UCSF

ZINC37031092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.72 5.69 -52.25 4 4 1 81 331.193 3
Mid Mid (pH 6-8) 0.72 5.36 -7.77 3 4 0 79 330.185 3

Activity (Go SEA)

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