UCSF

ZINC08615519

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2007 10 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -2.57 -1.33 -54.27 1 5 -1 86 161.162 1
Mid Mid (pH 6-8) -2.57 -0.84 -43.57 2 5 0 87 162.17 1

Activity (Go SEA)

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