UCSF

ZINC34474925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 4.74 10.11 -2.39 0 1 0 3 241.378 2
Mid Mid (pH 6-8) 4.74 10.04 -23.86 1 1 1 4 242.386 2

Activity (Go SEA)

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