UCSF

ZINC36886198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) -0.26 8.08 -34.57 1 6 0 82 294.351 6
Hi High (pH 8-9.5) -0.26 6.2 -47.18 0 6 -1 81 293.343 6

Activity (Go SEA)

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