UCSF

ZINC07486788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 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) 3.79 8.95 -39.97 2 4 1 57 306.817 3
Mid Mid (pH 6-8) 3.61 8.19 -27.46 1 4 0 64 305.809 3

Activity (Go SEA)

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