UCSF

ZINC37052231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -2.60 -0.9 -12.62 4 5 0 89 205.217 2
Mid Mid (pH 6-8) -2.60 -0.6 -49.86 5 5 1 91 206.225 2
Lo Low (pH 4.5-6) -2.60 -0.6 -46.05 5 5 1 91 206.225 2

Activity (Go SEA)

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