UCSF

ZINC34819292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 27 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) 1.68 4.58 -14.93 2 9 0 120 493.298 7
Hi High (pH 8-9.5) 2.13 2.75 -66.27 1 9 -1 123 492.29 7

Activity (Go SEA)

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