UCSF

ZINC35866310

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 0.37 2.05 -11.86 1 7 0 65 391.512 8
Mid Mid (pH 6-8) 0.37 4.23 -52.71 2 7 1 67 392.52 8
Mid Mid (pH 6-8) 0.37 4.3 -43.17 2 7 1 67 392.52 8
Lo Low (pH 4.5-6) 0.37 6.42 -104.08 3 7 2 68 393.528 8

Activity (Go SEA)

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