UCSF

ZINC37052015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) -2.00 2.16 -14.04 2 6 0 76 293.298 2
Lo Low (pH 4.5-6) -2.00 2.47 -53.51 3 6 1 77 294.306 2

Activity (Go SEA)

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