UCSF

ZINC51377706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 19 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) 3.54 7.7 -4.5 0 1 0 3 265.278 4
Mid Mid (pH 6-8) 3.54 10.01 -42.17 1 1 1 4 266.286 4

Activity (Go SEA)

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