UCSF

ZINC29603310

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 31 No

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) 0.46 6.15 -31.7 2 10 0 122 422.445 3
Hi High (pH 8-9.5) 1.54 5.49 -73.95 1 10 -1 129 421.437 3

Activity (Go SEA)

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