UCSF

ZINC37006652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 3.55 5.52 -55.65 4 3 1 57 326.258 3
Mid Mid (pH 6-8) 3.55 5.24 -6.56 3 3 0 55 325.25 3

Activity (Go SEA)

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