UCSF

ZINC31920433

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.39 6.02 -10.63 1 4 0 50 267.332 3
Lo Low (pH 4.5-6) 2.39 6.44 -29.45 2 4 1 52 268.34 3

Activity (Go SEA)

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