UCSF

ZINC37190238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.00 5.81 -3.98 2 2 0 39 222.357 3
Lo Low (pH 4.5-6) 3.00 6.27 -30.49 3 2 1 40 223.365 3

Activity (Go SEA)

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