UCSF

ZINC58961863

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2011 17 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) 1.21 5.75 -15.26 1 4 0 49 231.299 3
Lo Low (pH 4.5-6) 1.21 6.19 -36.34 2 4 1 50 232.307 3

Activity (Go SEA)

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