UCSF

ZINC25466403

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 2.23 7.84 -13.91 1 7 0 86 390.443 3
Hi High (pH 8-9.5) 2.68 7.03 -44.94 0 7 -1 89 389.435 3

Activity (Go SEA)

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