UCSF

ZINC46082939

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 24 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) 3.21 8.5 -18.14 2 5 0 61 325.412 6
Mid Mid (pH 6-8) 3.21 7.95 -41.16 3 5 1 63 326.42 6

Activity (Go SEA)

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