UCSF

ZINC36375156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 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) 6.55 13.2 -43.47 0 2 -1 40 267.433 13
Lo Low (pH 4.5-6) 6.55 11.22 -5.31 1 2 0 37 268.441 13

Activity (Go SEA)

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