UCSF

ZINC36886180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) -1.70 3.3 -37.19 3 7 0 103 271.317 9
Hi High (pH 8-9.5) -1.70 0.75 -51.33 2 7 -1 102 270.309 9

Activity (Go SEA)

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