UCSF

ZINC07415012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 29 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) 1.95 10.21 -16.89 0 7 0 76 394.427 7
Mid Mid (pH 6-8) 2.86 7.01 -36.69 2 3 1 33 265.421 7

Activity (Go SEA)

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