UCSF

ZINC37097038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.37 6.59 -116.2 4 2 2 32 226.408 5
Mid Mid (pH 6-8) 2.37 4.89 -41.35 3 2 1 31 225.4 5

Activity (Go SEA)

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