UCSF

ZINC26512714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.25 4.34 -11.29 2 4 0 65 255.252 2
Lo Low (pH 4.5-6) 2.25 4.78 -40.58 3 4 1 66 256.26 2

Activity (Go SEA)

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