UCSF

ZINC34668001

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 2.67 6.07 -17.01 2 7 0 78 430.524 9
Mid Mid (pH 6-8) 2.67 8.28 -50.71 3 7 1 79 431.532 9
Lo Low (pH 4.5-6) 2.67 8.6 -106.51 4 7 2 80 432.54 9

Activity (Go SEA)

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