UCSF

ZINC38138543

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 33 No

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) -0.28 -2.75 -55.77 6 12 -1 206 463.371 4
Hi High (pH 8-9.5) -0.28 -1.76 -127.26 5 12 -2 209 462.363 4

Activity (Go SEA)

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