UCSF

ZINC26746956

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 31 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) 0.98 10.18 -96.26 2 6 0 82 427.451 3
Lo Low (pH 4.5-6) -1.76 9.09 -90.75 3 6 1 85 428.459 2

Activity (Go SEA)

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