UCSF

ZINC41068071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 17 Yes

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) 2.64 2.48 -8.5 2 4 0 63 276.427 4
Lo Low (pH 4.5-6) 2.64 2.33 -54.3 3 4 1 65 277.435 4

Activity (Go SEA)

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