UCSF

ZINC34950815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 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 10.58 -46.04 0 3 -1 57 285.294 6
Lo Low (pH 4.5-6) 1.68 8.6 -11.27 1 3 0 54 286.302 6

Activity (Go SEA)

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