UCSF

ZINC34564354

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 2.09 7.5 -9.17 1 5 0 59 229.239 3
Lo Low (pH 4.5-6) 2.09 7.99 -32.57 2 5 1 61 230.247 3

Activity (Go SEA)

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