UCSF

ZINC37839369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -1.04 4.39 -27.09 1 6 0 76 256.302 5
Hi High (pH 8-9.5) -0.29 3.25 -56.75 1 6 -1 82 255.294 4

Activity (Go SEA)

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