UCSF

ZINC39748162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 3.55 6.93 -27.24 2 7 0 93 382.445 6
Hi High (pH 8-9.5) 3.62 5.25 -67.7 1 7 -1 100 381.437 6

Activity (Go SEA)

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