UCSF

ZINC34983672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.46 5.33 -47.38 4 7 1 92 431.553 5
Hi High (pH 8-9.5) 2.46 3.66 -7.97 3 7 0 91 430.545 5
Mid Mid (pH 6-8) 2.46 4.98 -108.11 5 7 2 97 432.561 5

Activity (Go SEA)

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