UCSF

ZINC37039373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.56 6.32 -116.69 5 5 2 64 292.427 4
Mid Mid (pH 6-8) 1.56 4.39 -50.36 4 5 1 63 291.419 4

Activity (Go SEA)

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