UCSF

ZINC49408817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 26 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) 2.01 4.95 -9.17 1 6 0 64 358.438 6
Lo Low (pH 4.5-6) 2.01 6.88 -42.51 2 6 1 65 359.446 6

Activity (Go SEA)

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