UCSF

ZINC29917299

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 29 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) 3.77 10.88 -43.3 3 5 1 63 416.973 10
Hi High (pH 8-9.5) 3.77 8.98 -10.98 2 5 0 61 415.965 10

Activity (Go SEA)

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