UCSF

ZINC30987963

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 35 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) 4.66 7.75 -23.03 2 9 0 123 485.525 7
Hi High (pH 8-9.5) 4.73 6.84 -53.45 1 9 -1 129 484.517 7

Activity (Go SEA)

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