UCSF

ZINC41475049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.21 9.15 -10.11 0 5 0 47 301.39 3
Lo Low (pH 4.5-6) 3.21 9.64 -31.31 1 5 1 49 302.398 3
Lo Low (pH 4.5-6) 3.21 9.63 -27.9 1 5 1 49 302.398 3

Activity (Go SEA)

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