UCSF

ZINC20394142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 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) 0.63 1.61 -55.25 4 6 1 80 266.369 5
Lo Low (pH 4.5-6) 0.63 3.99 -137.37 5 6 2 81 267.377 5

Activity (Go SEA)

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