UCSF

ZINC34656805

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 0.40 5.36 -17.09 1 11 0 143 496.21 8
Hi High (pH 8-9.5) 0.86 3.56 -66.12 0 11 -1 146 495.202 8

Activity (Go SEA)

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