UCSF

ZINC37052507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) -1.82 -0.29 -11.44 4 5 0 89 284.113 2
Mid Mid (pH 6-8) -1.82 0.02 -50.18 5 5 1 91 285.121 2

Activity (Go SEA)

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