UCSF

ZINC31946009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 0.88 2.19 -10.65 1 5 0 53 278.352 6
Lo Low (pH 4.5-6) 0.88 4.54 -43.1 2 5 1 54 279.36 6

Activity (Go SEA)

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