UCSF

ZINC31971421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.04 4.46 -70.24 5 5 1 86 336.774 5
Hi High (pH 8-9.5) 2.04 4.08 -21.78 4 5 0 84 335.766 5

Activity (Go SEA)

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