UCSF

ZINC51999161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 20 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) 3.58 5.59 -8.33 0 3 0 29 266.344 5
Lo Low (pH 4.5-6) 3.58 7.92 -42.04 1 3 1 30 267.352 5

Activity (Go SEA)

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