UCSF

ZINC20260200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 22 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) 2.35 6.52 -54.02 3 4 1 54 299.394 7
Hi High (pH 8-9.5) 2.35 7.31 -74.28 2 4 0 57 298.386 7

Activity (Go SEA)

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