UCSF

ZINC39975202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 3.91 10.29 -34.8 1 2 1 8 283.439 4
Mid Mid (pH 6-8) 3.91 10.4 -36.35 1 2 1 8 283.439 4
Mid Mid (pH 6-8) 3.91 8.3 -3.18 0 2 0 6 282.431 4

Activity (Go SEA)

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