UCSF

ZINC05611591

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 28 Yes

Other Names:

MFCD03075752

Download: MOL2 SDF SMILES Flexibase

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) 2.91 5.48 -13.1 3 6 0 90 390.468 5
Lo Low (pH 4.5-6) 2.91 5.7 -39.91 4 6 1 91 391.476 5

Activity (Go SEA)

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