UCSF

ZINC01222259

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2004 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) 2.60 -3.75 -19.72 1 8 0 97 437.591 7
Hi High (pH 8-9.5) 2.60 -3.17 -42.96 0 8 -1 99 436.583 7

Activity (Go SEA)

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