UCSF

ZINC39742275

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 30 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) 5.00 11.86 -23.76 1 7 0 86 485.466 8
Hi High (pH 8-9.5) 5.19 10.32 -60.01 0 7 -1 92 484.458 8

Activity (Go SEA)

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