UCSF

ZINC30984040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 27 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) 4.01 9.09 -54.18 2 6 1 72 391.923 7
Hi High (pH 8-9.5) 4.01 6.8 -15.63 1 6 0 71 390.915 7

Activity (Go SEA)

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