UCSF

ZINC37052387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) -0.57 2.45 -6.39 2 3 0 46 241.088 0
Lo Low (pH 4.5-6) -0.57 2.81 -36.31 3 3 1 48 242.096 0
Lo Low (pH 4.5-6) -0.57 2.82 -36.36 3 3 1 48 242.096 0

Activity (Go SEA)

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