UCSF

ZINC35088062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.07 -2.31 -39.26 6 5 1 100 200.262 7
Mid Mid (pH 6-8) -0.07 -2.65 -10.98 5 5 0 98 199.254 7

Activity (Go SEA)

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