UCSF

ZINC31978832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 1.76 2.79 -11.02 2 4 0 55 205.261 3
Lo Low (pH 4.5-6) 1.76 3.69 -25.32 3 4 1 57 206.269 3

Activity (Go SEA)

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